Vitas-M small molecule compound
ethyl 2-[(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK157397
SMILES CCOC(=O)C(N1C(=O)S/C(=C\c2cc(n(c2C)c2ccc3c(c2)OCO3)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 C22H22N2O6S MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6S/c1-5-28-21(26)14(4)24-20(25)19(31-22(24)27)9-15-8-12(2)23(13(15)3)16-6-7-17-18(10-16)30-11-29-17/h6-10,14H,5,11H2,1-4H3/b19-9-InChIKey
SFPWKOFHMCKKTK-OCKHKDLRSA-NSynonyms
CCOC(=O)C(C)N1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C)SC1=O
CCOC(=O)C(N1C(=O)SC(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)C)C1=O)C
ETHYL2((5Z)5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
ethyl2((5Z)5((1(13benzodioxol5yl)25dimethylpyrrol3yl)methylidene)24dioxo13thiazolidin3yl)propanoate
InChI=1SC22H22N2O6Sc152821(26)14(4)2420(25)19(3122(24)27)915812(2)23(13(15)3)16671718(1016)30112917h61014H511H214H3b199
MFCD03729425
ZINC000000980930
ZINC000000980932
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