Vitas-M small molecule compound
2-chloro-5-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
Catalog ID
STL355671
SMILES S=C(Nc1ccc(c(c1)C(=O)O)Cl)NC(=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)22-15-8-9-17(21)16(11-15)19(25)26/h3-12H,1-2H3,(H,25,26)(H2,22,23,24,27)/b10-5+InChIKey
FUHQLISVIFZMIG-BJMVGYQFSA-NSynonyms
433950-47-1(E)2chloro5(3(3(4isopropylphenyl)acryloyl)thioureido)benzoicacid
2chloro5((((2E)3(4(propan2yl)phenyl)prop2enoyl)carbamothioyl)amino)benzoicacid
2CHLORO5(((E)3(4PROPAN2YLPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
433950471
CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O
InChI=1SC20H19ClN2O3Sc112(2)146313(4714)51018(24)2320(27)22158917(21)16(1115)19(25)26h312H12H3(H2526)(H222232427)b105+
MFCD03564847
S=C(Nc1ccc(c(c1)C(=O)O)Cl)NC(=O)C=Cc1ccc(cc1)C(C)C
ZINC000004845393
ZINC4845393
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