Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799033
SMILES COc1cc(CCN2C(=S)S/C(=C\c3cn(nc3c3ccc(cc3)OCc3ccccc3)c3ccccc3)/C2=O)ccc1OC
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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 C36H31N3O4S2 MW 633.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31N3O4S2/c1-41-31-18-13-25(21-32(31)42-2)19-20-38-35(40)33(45-36(38)44)22-28-23-39(29-11-7-4-8-12-29)37-34(28)27-14-16-30(17-15-27)43-24-26-9-5-3-6-10-26/h3-18,21-23H,19-20,24H2,1-2H3/b33-22-InChIKey
DDGMFAOEKHYMEQ-NVMPUMLXSA-NSynonyms
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2(34dimethoxyphenyl)ethyl)2thioxo13thiazolidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3cn(nc3c3ccc(cc3)OCc3ccccc3)c3ccccc3)C2=O)ccc1OC
InChI=1SC36H31N3O4S2c14131181325(2132(31)422)19203835(40)33(4536(38)44)22282339(29117481229)3734(28)27141630(171527)43242695361026h3182123H192024H212H3b3322
MFCD03462221
ZINC000097946228
ZINC97946228
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