Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702457
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCCC)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 C30H35N3O2S2 MW 533.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O2S2/c1-4-6-8-12-17-32-29(34)27(37-30(32)36)20-24-21-33(25-13-10-9-11-14-25)31-28(24)23-15-16-26(22(3)19-23)35-18-7-5-2/h9-11,13-16,19-21H,4-8,12,17-18H2,1-3H3/b27-20-InChIKey
IOIXXKYWDIUVNR-OOAXWGSJSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(4butoxy3methylphenyl)1phenylpyrazol4yl)methylidene)3hexyl2sulfanylidene13thiazolidin4one
(Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3hexyl2thioxothiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCCC)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCCC)c2ccccc2)C1=O
InChI=1SC30H35N3O2S2c146812173229(34)27(3730(32)36)20242133(2513109111425)3128(24)23151626(22(3)1923)3518752h91113161921H48121718H213H3b2720
MFCD02990660
ZINC000008856531
ZINC08856531
ZINC8856531
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