Vitas-M small molecule compound
ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK037870
SMILES CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccc(cc1)C(=O)OCC)NC(=O)c1ccc(c(c1)[N+](=O)[O-])C
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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 C26H25N3O8S MW 539.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O8S/c1-5-36-25(32)16-9-11-18(12-10-16)27-23(31)21-15(4)20(26(33)37-6-2)24(38-21)28-22(30)17-8-7-14(3)19(13-17)29(34)35/h7-13H,5-6H2,1-4H3,(H,27,31)(H,28,30)InChIKey
IIJKTHIJWINLQD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=C(C=C3)C)(N+)(=O)(O))C(=O)OCC)C
CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccc(cc1)C(=O)OCC)NC(=O)c1ccc(c(c1)(N+)(=O)(O))C
ETHYL4((4(ETHOXYCARBONYL)3METHYL5((4METHYL3NITROPHENYL)CARBONYLAMINO)2THIENYL)CARBONYLAMINO)BENZOATE
ETHYL5((4(ETHOXYCARBONYL)PHENYL)CARBAMOYL)4METHYL2(((4METHYL3NITROPHENYL)CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5((4ETHOXYCARBONYLPHENYL)CARBAMOYL)4METHYL2((4METHYL3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC26H25N3O8Sc153625(32)1691118(121016)2723(31)2115(4)20(26(33)3762)24(3821)2822(30)178714(3)19(1317)29(34)35h713H56H214H3(H2731)(H2830)
MFCD01823910
STK037870
ZINC000006599919
ZINC6599919
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Check stock on Vitas-MAvailable files
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