U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31N5O7.BrH
Molecular Weight 583.45
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VV-116

SMILES

Br.[2H]C1=C2N(N=CN=C2N)C(=C1)[C@@]3(O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]3OC(=O)C(C)C)C#N

InChI

InChIKey=HVRWXEFYGBTUNI-FTPFRNFUSA-N
InChI=1S/C24H31N5O7.BrH/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17;/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28);1H/t16-,18-,19-,24+;/m1./s1/i7D;

HIDE SMILES / InChI

Approval Year

Name Type Language
VV-116
Common Name English
VV116
Common Name English
Code System Code Type Description
PUBCHEM
163409081
Created by admin on Sat Dec 16 19:52:51 GMT 2023 , Edited by admin on Sat Dec 16 19:52:51 GMT 2023
PRIMARY
FDA UNII
P4L9Q2T94L
Created by admin on Sat Dec 16 19:52:51 GMT 2023 , Edited by admin on Sat Dec 16 19:52:51 GMT 2023
PRIMARY
CAS
2779498-79-0
Created by admin on Sat Dec 16 19:52:51 GMT 2023 , Edited by admin on Sat Dec 16 19:52:51 GMT 2023
PRIMARY