VOB-560 SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H41ClN6O4.H2O4S
Molecular Weight	815.334
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.CN1C(=CC(N(C(=O)C2=C(C)N(C)C(=C2)C3=CC(Cl)=CC=C3C(=O)N4CC5=CC=CC=C5C[C@H]4CN6CCOCC6)C7=CC=C(O)C=C7)=C1C)C#N

InChI

InChIKey=ZLAZYXMNPRHARH-WAQYZQTGSA-N

InChI=1S/C41H41ClN6O4.H2O4S/c1-26-36(41(51)48(31-10-12-34(49)13-11-31)38-21-32(23-43)44(3)27(38)2)22-39(45(26)4)37-20-30(42)9-14-35(37)40(50)47-24-29-8-6-5-7-28(29)19-33(47)25-46-15-17-52-18-16-46;1-5(2,3)4/h5-14,20-22,33,49H,15-19,24-25H2,1-4H3;(H2,1,2,3,4)/t33-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C41H41ClN6O4
Molecular Weight	717.255
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:37:56 GMT 2025` Edited by `admin` on `Wed Apr 02 08:37:56 GMT 2025`
Record UNII	4SN27Y6310
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S-65487 SULFATE

Preferred Name

English

VOB-560 SULFATE

Code

English

1H-PYRROLE-3-CARBOXAMIDE, 5-(5-CHLORO-2-(((3S)-3,4-DIHYDRO-3-(4-MORPHOLINYLMETHYL)-2(1H)-ISOQUINOLINYL)CARBONYL)PHENYL)-N-(5-CYANO-1,2-DIMETHYL-1H-PYRROL-3-YL)-N-(4-HYDROXYPHENYL)-1,2-DIMETHYL-, COMPD. WITH SULFURATE (1:1)

Systematic Name

English

5-(5-CHLORO-2-(((3S)-3,4-DIHYDRO-3-(4-MORPHOLINYLMETHYL)-2(1H)-ISOQUINOLINYL)CARBONYL)PHENYL)-N-(5-CYANO-1,2-DIMETHYL-1H-PYRROL-3-YL)-N-(4-HYDROXYPHENYL)-1,2-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE SULFATE

Systematic Name

English

VOB560 SULFATE

Code

English

Code System Code Type Description

PUBCHEM

162642598