Vitas-M small molecule compound
ethyl 5-carbamoyl-4-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK459139
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)sc(c1C)C(=O)N
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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 C17H17N3O6S MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6S/c1-4-26-17(23)12-9(3)13(14(18)21)27-16(12)19-15(22)10-6-5-8(2)11(7-10)20(24)25/h5-7H,4H2,1-3H3,(H2,18,21)(H,19,22)InChIKey
VPWPQFXUSSOJFI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=C(C=C2)C)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))C)sc(c1C)C(=O)N
ethyl5carbamoyl4methyl2(((4methyl3nitrophenyl)carbonyl)amino)thiophene3carboxylate
ETHYL5CARBAMOYL4METHYL2((4METHYL3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5CARBAMOYL4METHYL2((4METHYL3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC17H17N3O6Sc142617(23)129(3)13(14(18)21)2716(12)1915(22)10658(2)11(710)20(24)25h57H4H213H3(H21821)(H1922)
MFCD01348743
ZINC000005473804
ZINC05473804
ZINC5473804
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