Vitas-M small molecule compound
diethyl 5-{[(4-ethoxy-2-nitrophenyl)carbamothioyl]amino}-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK456568
SMILES CCOc1ccc(c(c1)[N+](=O)[O-])NC(=S)Nc1sc(c(c1C(=O)OCC)C)C(=O)OCC
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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 C20H23N3O7S2 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O7S2/c1-5-28-12-8-9-13(14(10-12)23(26)27)21-20(31)22-17-15(18(24)29-6-2)11(4)16(32-17)19(25)30-7-3/h8-10H,5-7H2,1-4H3,(H2,21,22,31)InChIKey
SXBFZXBSUGBRRH-UHFFFAOYSA-NSynonyms
CCOC1=CC(=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)(N+)(=O)(O)
CCOc1ccc(c(c1)(N+)(=O)(O))NC(=S)Nc1sc(c(c1C(=O)OCC)C)C(=O)OCC
diethyl5(((4ethoxy2nitrophenyl)carbamothioyl)amino)3methylthiophene24dicarboxylate
DIETHYL5((4ETHOXY2NITROPHENYL)CARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)2((((4ETHOXY2NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H23N3O7S2c1528128913(14(1012)23(26)27)2120(31)221715(18(24)2962)11(4)16(3217)19(25)3073h810H57H214H3(H2212231)
MFCD05135816
ZINC000016346324
ZINC16346324
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