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

Stereochemistry ACHIRAL
Molecular Formula C19H14BF4N3O4S
Molecular Weight 467.202
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SX-682

SMILES

OB(O)C1=C(CSC2=NC=C(C=N2)C(=O)NC3=CC=C(F)C=C3)C=C(OC(F)(F)F)C=C1

InChI

InChIKey=SDUDZBCEHIZMFZ-UHFFFAOYSA-N
InChI=1S/C19H14BF4N3O4S/c21-13-1-3-14(4-2-13)27-17(28)12-8-25-18(26-9-12)32-10-11-7-15(31-19(22,23)24)5-6-16(11)20(29)30/h1-9,29-30H,10H2,(H,27,28)

HIDE SMILES / InChI

Molecular Formula C19H14BF4N3O4S
Molecular Weight 467.202
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
H5212R2DPM
Record Status Validated (UNII)
Record Version