Vitas-M small molecule compound
(5Z)-3-heptyl-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811555
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCC=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 C30H33N3O2S2 MW 531.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O2S2/c1-4-6-7-8-12-17-32-29(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)35-18-5-2/h5,9-11,13-16,19-21H,2,4,6-8,12,17-18H2,1,3H3/b27-20-InChIKey
LKKRGBQBPLGWIL-OOAXWGSJSA-NSynonyms
(5Z)3heptyl5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3heptyl5((3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCC=C)c2ccccc2)C1=O
InChI=1SC30H33N3O2S2c1467812173229(34)27(3730(32)36)20242133(2513109111425)3128(24)23151626(22(3)1923)351852h591113161921H2468121718H213H3b2720
MFCD06264898
ZINC000097946457
ZINC97946457
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