Vitas-M small molecule compound
3-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK107542
SMILES O=C(NC(=S)Nc1cccc(c1)C(=O)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/c18-13-7-4-11(5-8-13)6-9-15(21)20-17(24)19-14-3-1-2-12(10-14)16(22)23/h1-10H,(H,22,23)(H2,19,20,21,24)/b9-6+InChIKey
JIFZYUZRYZGPAT-RMKNXTFCSA-NSynonyms
433689-62-4(E)3(3(3(4chlorophenyl)acryloyl)thioureido)benzoicacid
3((((2E)3(4CHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3(((E)3(4CHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
433689624
C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl)C(=O)O
InChI=1SC17H13ClN2O3Sc18137411(5813)6915(21)2017(24)191431212(1014)16(22)23h110H(H2223)(H219202124)b96+
MFCD03191170
O=C(NC(=S)Nc1cccc(c1)C(=O)O)C=Cc1ccc(cc1)Cl
ZINC000001157403
ZINC1157403
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