Vitas-M small molecule compound
(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(prop-2-en-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK157115
SMILES C=CCN1C(=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 C20H18N2O4S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4S/c1-4-7-21-19(23)18(27-20(21)24)9-14-8-12(2)22(13(14)3)15-5-6-16-17(10-15)26-11-25-16/h4-6,8-10H,1,7,11H2,2-3H3/b18-9-InChIKey
LOCVEYHIRLKQPC-NVMNQCDNSA-NSynonyms
(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)3(PROP2EN1YL)13THIAZOLIDINE24DIONE
(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)3PROP2ENYL13THIAZOLIDINE24DIONE
C=CCN1C(=O)SC(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)C)C1=O
CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)N(C(=O)S4)CC=C
InChI=1SC20H18N2O4Sc1472119(23)18(2720(21)24)914812(2)22(13(14)3)15561617(1015)26112516h46810H1711H223H3b189
MFCD03228225
ZINC000013881584
ZINC13881584
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