Vitas-M small molecule compound
(5Z)-3-heptyl-5-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK906544
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OC)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 C27H29N3O2S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S2/c1-3-4-5-6-10-16-29-26(31)24(34-27(29)33)18-21-19-30(22-13-8-7-9-14-22)28-25(21)20-12-11-15-23(17-20)32-2/h7-9,11-15,17-19H,3-6,10,16H2,1-2H3/b24-18-InChIKey
HILROVLLLQGTFR-MOHJPFBDSA-NSynonyms
1010869-85-8(5Z)3heptyl5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3heptyl5((3(3methoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3heptyl5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
1010869858
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)OC)c2ccccc2)C1=O
InChI=1SC27H29N3O2S2c1345610162926(31)24(3427(29)33)18211930(22138791422)2825(21)2012111523(1720)322h7911151719H361016H212H3b2418
MFCD05697633
ZINC000101235610
ZINC101235610
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