Vitas-M small molecule compound
ethyl [(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Catalog ID
STK157297
SMILES CCOC(=O)CN1C(=O)S/C(=C\c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C1=O
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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 C21H20N2O6S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6S/c1-4-27-19(24)10-22-20(25)18(30-21(22)26)8-14-7-12(2)23(13(14)3)15-5-6-16-17(9-15)29-11-28-16/h5-9H,4,10-11H2,1-3H3/b18-8-InChIKey
GYWLRINBUYILCT-LSCVHKIXSA-NSynonyms
CCOC(=O)CN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C)SC1=O
CCOC(=O)CN1C(=O)SC(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)C)C1=O
ETHYL((5Z)5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
ETHYL2((5Z)5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
InChI=1SC21H20N2O6Sc142719(24)102220(25)18(3021(22)26)814712(2)23(13(14)3)15561617(915)29112816h59H41011H213H3b188
MFCD03228558
ZINC000000980489
ZINC00980489
ZINC980489
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