Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-heptyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811475
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)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 C33H31Cl2N3O2S2 MW 636.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31Cl2N3O2S2/c1-2-3-4-5-9-18-37-32(39)30(42-33(37)41)19-25-21-38(27-10-7-6-8-11-27)36-31(25)23-13-16-28(17-14-23)40-22-24-12-15-26(34)20-29(24)35/h6-8,10-17,19-21H,2-5,9,18,22H2,1H3/b30-19-InChIKey
YZYOAGMNCWYBKC-FSGOGVSDSA-NSynonyms
(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3heptyl2sulfanylidene13thiazolidin4one
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O
InChI=1SC33H31Cl2N3O2S2c123459183732(39)30(4233(37)41)19252138(27107681127)3631(25)23131628(171423)402224121526(34)2029(24)35h6810171921H2591822H21H3b3019
MFCD06264862
ZINC000097946442
ZINC97946442
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