Vitas-M small molecule compound

4-{[(3Z)-3-{[(4-chlorophenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}phenyl thiocyanate

Catalog ID
STK634514
SMILES N#CSc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H14ClN5O2S2 MW 467.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN5O2S2/c22-14-5-11-17(12-6-14)31(28,29)27-21-20(25-18-3-1-2-4-19(18)26-21)24-15-7-9-16(10-8-15)30-13-23/h1-12H,(H,24,25)(H,26,27)
InChIKey
BGICRUFULVJMAF-UHFFFAOYSA-N
Synonyms
371954-63-1
(4((3((4CHLOROPHENYL)SULFONYLAMINO)QUINOXALIN2YL)AMINO)PHENYL)THIOCYANATE
371954631
4(((3Z)3(((4chlorophenyl)sulfonyl)imino)34dihydroquinoxalin2yl)amino)phenylthiocyanate
4((3(((4CHLOROPHENYL)SULFONYL)AMINO)QUINOXALIN2YL)AMINO)PHENYLTHIOCYANATE
C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)SC#N
InChI=1SC21H14ClN5O2S2c221451117(12614)31(2829)272120(2518312419(18)2621)24157916(10815)301323h112H(H2425)(H2627)
MFCD18160415
N#CSc1ccc(cc1)Nc1nc2ccccc2(nH)c1=NS(=O)(=O)c1ccc(cc1)Cl
ZINC000002269560
ZINC2269560

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.