Vitas-M small molecule compound
4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK102534
SMILES S=C(Nc1ccc(cc1)C(=O)O)NC(=O)/C=C/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 C17H13ClN2O3S MW 360.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O3S/c18-13-6-1-11(2-7-13)3-10-15(21)20-17(24)19-14-8-4-12(5-9-14)16(22)23/h1-10H,(H,22,23)(H2,19,20,21,24)/b10-3+InChIKey
UPLTWLCMPVEQHN-XCVCLJGOSA-NSynonyms
435292-01-64(((((2E)3(4CHLOROPHENYL)PROP2ENOYL)AMINO)CARBONOTHIOYL)AMINO)BENZOICACID
4(((((E)3(4CHLOROPHENYL)1OXOPROP2ENYL)AMINO)SULFANYLIDENEMETHYL)AMINO)BENZOICACID
4((((2E)3(4CHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4(((E)3(4CHLOROPHENYL)ACRYLOYL)THIOCARBAMOYLAMINO)BENZOICACID
4(((E)3(4CHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
435292016
C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)Cl
InChI=1SC17H13ClN2O3Sc18136111(2713)31015(21)2017(24)19148412(5914)16(22)23h110H(H2223)(H219202124)b103+
MFCD03191169
S=C(Nc1ccc(cc1)C(=O)O)NC(=O)C=Cc1ccc(cc1)Cl
ZINC000001160404
ZINC1160404
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