Vitas-M small molecule compound

2-chloro-4-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid

Catalog ID
STK094529
SMILES O=C(NC(=S)Nc1ccc(c(c1)Cl)C(=O)O)/C=C/c1ccc(cc1)C(C)C

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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 C20H19ClN2O3S MW 402.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O3S/c1-12(2)14-6-3-13(4-7-14)5-10-18(24)23-20(27)22-15-8-9-16(19(25)26)17(21)11-15/h3-12H,1-2H3,(H,25,26)(H2,22,23,24,27)/b10-5+
InChIKey
OSGHAYUXYKCDKE-BJMVGYQFSA-N
Synonyms
435281-90-6
(E)2chloro4(3(3(4isopropylphenyl)acryloyl)thioureido)benzoicacid
2CHLORO4((((2E)3(4(PROPAN2YL)PHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO4(((E)3(4PROPAN2YLPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
435281906
CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl
InChI=1SC20H19ClN2O3Sc112(2)146313(4714)51018(24)2320(27)22158916(19(25)26)17(21)1115h312H12H3(H2526)(H222232427)b105+
MFCD03571895
O=C(NC(=S)Nc1ccc(c(c1)Cl)C(=O)O)C=Cc1ccc(cc1)C(C)C
STK094529
ZINC000001160123
ZINC1160123

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Available files

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