Vitas-M small molecule compound
methyl 2-{[(2-methoxy-4-nitrophenyl)carbamothioyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK456594
SMILES COc1cc(ccc1NC(=S)Nc1sc(c(c1C(=O)OC)C)C)[N+](=O)[O-]
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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 C16H17N3O5S2 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5S2/c1-8-9(2)26-14(13(8)15(20)24-4)18-16(25)17-11-6-5-10(19(21)22)7-12(11)23-3/h5-7H,1-4H3,(H2,17,18,25)InChIKey
DGUQGDKGXQLBCV-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)(N+)(=O)(O))OC)C
COc1cc(ccc1NC(=S)Nc1sc(c(c1C(=O)OC)C)C)(N+)(=O)(O)
InChI=1SC16H17N3O5S2c189(2)2614(13(8)15(20)244)1816(25)17116510(19(21)22)712(11)233h57H14H3(H2171825)
METHYL2((((2METHOXY4NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
methyl2(((2methoxy4nitrophenyl)carbamothioyl)amino)45dimethylthiophene3carboxylate
METHYL2((2METHOXY4NITROPHENYL)CARBAMOTHIOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD05991139
ZINC000005041832
ZINC05041832
ZINC5041832
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