Vitas-M small molecule compound
ethyl 5-(diethylcarbamoyl)-4-methyl-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK439072
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])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 C22H25N3O6S MW 459.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O6S/c1-5-24(6-2)21(27)19-14(4)18(22(28)31-7-3)20(32-19)23-17(26)13-10-15-8-11-16(12-9-15)25(29)30/h8-13H,5-7H2,1-4H3,(H,23,26)/b13-10+InChIKey
YVORHNLFHAIIIW-JLHYYAGUSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)(N+)(=O)(O))C(=O)OCC)C
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)(N+)(=O)(O))sc(c1C)C(=O)N(CC)CC
ETHYL2((2E)3(4NITROPHENYL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5((DIETHYLAMINO)CARBONYL)2((3(4NITROPHENYL)ACRYLOYL)AMINO)4METHYL3THIOPHENECARBOXYLATE
ethyl5(diethylcarbamoyl)4methyl2(((2E)3(4nitrophenyl)prop2enoyl)amino)thiophene3carboxylate
ETHYL5(DIETHYLCARBAMOYL)4METHYL2(((E)3(4NITROPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H25N3O6Sc1524(62)21(27)1914(4)18(22(28)3173)20(3219)2317(26)13101581116(12915)25(29)30h813H57H214H3(H2326)b1310+
MFCD03362476
ZINC000000997954
ZINC00997954
ZINC997954
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