Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(3-methoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798523
SMILES COCCCN1C(=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 C30H27N3O3S2 MW 541.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O3S2/c1-35-18-8-17-32-29(34)27(38-30(32)37)19-24-20-33(25-11-6-3-7-12-25)31-28(24)23-13-15-26(16-14-23)36-21-22-9-4-2-5-10-22/h2-7,9-16,19-20H,8,17-18,21H2,1H3/b27-19-InChIKey
DBFWAEOAAHFCDY-DIBXZPPDSA-NSynonyms
(5Z)3(3METHOXYPROPYL)5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(3methoxypropyl)2thioxo13thiazolidin4one
COCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)SC1=S
COCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C1=O
InChI=1SC30H27N3O3S2c135188173229(34)27(3830(32)37)19242033(25116371225)3128(24)23131526(161423)36212294251022h279161920H8171821H21H3b2719
MFCD03417727
ZINC000100838941
ZINC100838941
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