Vitas-M small molecule compound
methyl 3-chloro-6-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
Catalog ID
STK457929
SMILES COC(=O)c1cc(OC)c(cc1NC(=S)Nc1ccc2c(c1)sc(c2Cl)C(=O)OC)OC
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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 C21H19ClN2O6S2 MW 494.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O6S2/c1-27-14-8-12(19(25)29-3)13(9-15(14)28-2)24-21(31)23-10-5-6-11-16(7-10)32-18(17(11)22)20(26)30-4/h5-9H,1-4H3,(H2,23,24,31)InChIKey
QTKNOENDGWJKBE-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)OC
InChI=1SC21H19ClN2O6S2c12714812(19(25)293)13(915(14)282)2421(31)2310561116(710)3218(17(11)22)20(26)304h59H14H3(H2232431)
methyl3chloro6(((45dimethoxy2(methoxycarbonyl)phenyl)carbamothioyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6((45DIMETHOXY2METHOXYCARBONYLPHENYL)CARBAMOTHIOYLAMINO)1BENZOTHIOPHENE2CARBOXYLATE
METHYL6((((45DIMETHOXY2(METHOXYCARBONYL)PHENYL)AMINO)THIOXOMETHYL)AMINO)3CHLOROBENZO(B)THIOPHENE2CARBOXYLATE
MFCD04137089
ZINC000002859002
ZINC02859002
ZINC2859002
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