Vitas-M small molecule compound

(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-octyl-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK798508
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)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 C34H35N3O2S2 MW 581.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35N3O2S2/c1-2-3-4-5-6-13-22-36-33(38)31(41-34(36)40)23-28-24-37(29-16-11-8-12-17-29)35-32(28)27-18-20-30(21-19-27)39-25-26-14-9-7-10-15-26/h7-12,14-21,23-24H,2-6,13,22,25H2,1H3/b31-23-
InChIKey
RNGTTYDLYNPKJI-SXBRIOAWSA-N
Synonyms

(5Z)3octyl5((1phenyl3(4phenylmethoxyphenyl)pyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C1=O
InChI=1SC34H35N3O2S2c12345613223633(38)31(4134(36)40)23282437(2916118121729)3532(28)27182030(211927)3925261497101526h71214212324H26132225H21H3b3123
MFCD03417712
ZINC000100838900
ZINC100838900

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Available files

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