Vitas-M small molecule compound
ethyl 5-(diethylcarbamoyl)-4-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK419305
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)sc(c1C)C(=O)N(CC)CC
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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 C21H25N3O6S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6S/c1-6-23(7-2)20(26)17-13(5)16(21(27)30-8-3)19(31-17)22-18(25)14-10-9-12(4)15(11-14)24(28)29/h9-11H,6-8H2,1-5H3,(H,22,25)InChIKey
FWXFLDQKCKMING-UHFFFAOYSA-NSynonyms
362500-49-0362500490
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)C)(N+)(=O)(O))C(=O)OCC)C
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))C)sc(c1C)C(=O)N(CC)CC
ethyl5(diethylcarbamoyl)4methyl2(((4methyl3nitrophenyl)carbonyl)amino)thiophene3carboxylate
ETHYL5(DIETHYLCARBAMOYL)4METHYL2((4METHYL3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H25N3O6Sc1623(72)20(26)1713(5)16(21(27)3083)19(3117)2218(25)1410912(4)15(1114)24(28)29h911H68H215H3(H2225)
MFCD01353336
ZINC000002740270
ZINC02740270
ZINC2740270
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