Vitas-M small molecule compound
(5Z)-5-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK178546
SMILES C#CCN1C(=O)S/C(=C\c2cc(Br)c(c(c2)OC)OCc2ccc(cc2)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 C22H18BrNO4S MW 472.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO4S/c1-4-9-24-21(25)19(29-22(24)26)12-16-10-17(23)20(18(11-16)27-3)28-13-15-7-5-14(2)6-8-15/h1,5-8,10-12H,9,13H2,2-3H3/b19-12-InChIKey
PWLMCRKPIUSDJM-UNOMPAQXSA-NSynonyms
(5Z)5((3BROMO5METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROP2YNYL13THIAZOLIDINE24DIONE
(5Z)5(3BROMO5METHOXY4((4METHYLBENZYL)OXY)BENZYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
C#CCN1C(=O)SC(=Cc2cc(Br)c(c(c2)OC)OCc2ccc(cc2)C)C1=O
CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C=C3C(=O)N(C(=O)S3)CC#C)OC
InChI=1SC22H18BrNO4Sc1492421(25)19(2922(24)26)12161017(23)20(18(1116)273)2813157514(2)6815h1581012H913H223H3b1912
MFCD06663864
ZINC000013939676
ZINC13939676
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