Vitas-M small molecule compound
(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702713
SMILES C=CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCC(C)C)c2ccccc2)/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 C27H27N3O2S2 MW 489.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S2/c1-4-15-29-26(31)24(34-27(29)33)17-21-18-30(22-8-6-5-7-9-22)28-25(21)20-10-12-23(13-11-20)32-16-14-19(2)3/h4-13,17-19H,1,14-16H2,2-3H3/b24-17-InChIKey
UOYLXBMTJJEYJP-ULJHMMPZSA-NSynonyms
(5Z)5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(prop2en1yl)2thioxo13thiazolidin4one
(5Z)5((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3allyl5((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
C=CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCC(C)C)c2ccccc2)C1=O
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4
InChI=1SC27H27N3O2S2c14152926(31)24(3427(29)33)17211830(228657922)2825(21)20101223(131120)32161419(2)3h4131719H11416H223H3b2417
MFCD02991155
ZINC000002273849
ZINC02273849
ZINC2273849
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