Vitas-M small molecule compound
(2E)-3-(2-chlorophenyl)-N-{[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STL062688
SMILES S=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)NC(=O)/C=C/c1ccccc1Cl
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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 C20H20ClN3O3S2 MW 449.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3S2/c21-18-6-2-1-5-15(18)7-12-19(25)23-20(28)22-16-8-10-17(11-9-16)29(26,27)24-13-3-4-14-24/h1-2,5-12H,3-4,13-14H2,(H2,22,23,25,28)/b12-7+InChIKey
XOLXVSHDWIQTTO-KPKJPENVSA-NSynonyms
(2E)3(2chlorophenyl)N((4(pyrrolidin1ylsulfonyl)phenyl)carbamothioyl)prop2enamide
(E)3(2CHLOROPHENYL)N((4PYRROLIDIN1YLSULFONYLPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3Cl
InChI=1SC20H20ClN3O3S2c2118621515(18)71219(25)2320(28)221681017(11916)29(2627)2413341424h12512H341314H2(H222232528)b127+
MFCD04105881
S=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)NC(=O)C=Cc1ccccc1Cl
ZINC000001236648
ZINC01236648
ZINC1236648
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