Vitas-M small molecule compound
ethyl 2-{(5Z)-5-[(2,5-dimethyl-1-{4-[(5-nitropyridin-2-yl)oxy]phenyl}-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
Catalog ID
STK157396
SMILES CCOC(=O)C(N1C(=O)S/C(=C\c2cc(n(c2C)c2ccc(cc2)Oc2ccc(cn2)[N+](=O)[O-])C)/C1=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 C26H24N4O7S MW 536.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O7S/c1-5-36-25(32)17(4)29-24(31)22(38-26(29)33)13-18-12-15(2)28(16(18)3)19-6-9-21(10-7-19)37-23-11-8-20(14-27-23)30(34)35/h6-14,17H,5H2,1-4H3/b22-13-InChIKey
OYLMMYTYWDRJGR-XKZIYDEJSA-NSynonyms
CCOC(=O)C(C)N1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)OC4=NC=C(C=C4)(N+)(=O)(O))C)SC1=O
CCOC(=O)C(N1C(=O)SC(=Cc2cc(n(c2C)c2ccc(cc2)Oc2ccc(cn2)(N+)(=O)(O))C)C1=O)C
ETHYL2((5Z)5((25DIMETHYL1(4((5NITROPYRIDIN2YL)OXY)PHENYL)1HPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
ethyl2((5Z)5((25dimethyl1(4(5nitropyridin2yl)oxyphenyl)pyrrol3yl)methylidene)24dioxo13thiazolidin3yl)propanoate
InChI=1SC26H24N4O7Sc153625(32)17(4)2924(31)22(3826(29)33)13181215(2)28(16(18)3)196921(10719)372311820(142723)30(34)35h61417H5H214H3b2213
MFCD03729424
ZINC000002099233
ZINC000002099239
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