Vitas-M small molecule compound
(5Z)-5-[(1-{4-[(4-chlorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK095015
SMILES C#CCN1C(=O)S/C(=C\c2cc(n(c2C)c2ccc(cc2)OCc2ccc(cc2)Cl)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 C26H21ClN2O3S MW 476.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O3S/c1-4-13-28-25(30)24(33-26(28)31)15-20-14-17(2)29(18(20)3)22-9-11-23(12-10-22)32-16-19-5-7-21(27)8-6-19/h1,5-12,14-15H,13,16H2,2-3H3/b24-15-InChIKey
DZACZPQJARILJO-IWIPYMOSSA-NSynonyms
(5Z)5((1(4((4CHLOROBENZYL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
(5Z)5((1(4((4CHLOROPHENYL)METHOXY)PHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)3PROP2YNYL13THIAZOLIDINE24DIONE
C#CCN1C(=O)SC(=Cc2cc(n(c2C)c2ccc(cc2)OCc2ccc(cc2)Cl)C)C1=O
CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C)C=C4C(=O)N(C(=O)S4)CC#C
InChI=1SC26H21ClN2O3Sc14132825(30)24(3326(28)31)15201417(2)29(18(20)3)2291123(121022)3216195721(27)8619h15121415H1316H223H3b2415
MFCD03226915
STK095015
ZINC000013895383
ZINC13895383
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