Vitas-M small molecule compound
ethyl (5Z)-5-(3-ethoxy-2-hydroxy-5-nitrobenzylidene)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371577
SMILES CCOC(=O)C1=C(S/C(=C\c2cc(cc(c2O)OCC)[N+](=O)[O-])/C1=O)NC(=O)c1ccc(cc1)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 C24H22N2O8S MW 498.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O8S/c1-4-33-17-12-16(26(31)32)10-15(20(17)27)11-18-21(28)19(24(30)34-5-2)23(35-18)25-22(29)14-8-6-13(3)7-9-14/h6-12,27H,4-5H2,1-3H3,(H,25,29)/b18-11-InChIKey
MNXQUULPHXZRMK-WQRHYEAKSA-NSynonyms
CCOC(=O)C1=C(SC(=Cc2cc(cc(c2O)OCC)(N+)(=O)(O))C1=O)NC(=O)c1ccc(cc1)C
CCOC1=C(C(=CC(=C1)(N+)(=O)(O))C=C2C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)C)C(=O)OCC)O
ETHYL(5Z)5((3ETHOXY2HYDROXY5NITROPHENYL)METHYLIDENE)2((4METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3ethoxy2hydroxy5nitrobenzylidene)2(((4methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
InChI=1SC24H22N2O8Sc1433171216(26(31)32)1015(20(17)27)111821(28)19(24(30)3452)23(3518)2522(29)148613(3)7914h61227H45H213H3(H2529)b1811
MFCD03711459
ZINC000003004581
ZINC3004581
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