Vitas-M small molecule compound
(5Z)-3-heptyl-5-({3-[4-(naphthalen-1-ylmethoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823898
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2cccc3c2cccc3)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 C37H35N3O2S2 MW 617.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H35N3O2S2/c1-2-3-4-5-11-23-39-36(41)34(44-37(39)43)24-30-25-40(31-16-7-6-8-17-31)38-35(30)28-19-21-32(22-20-28)42-26-29-15-12-14-27-13-9-10-18-33(27)29/h6-10,12-22,24-25H,2-5,11,23,26H2,1H3/b34-24-InChIKey
WPEJPPBEJYHCMI-BCJTWVECSA-NSynonyms
(5Z)3heptyl5((3(4(naphthalen1ylmethoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3heptyl5((3(4(naphthalen1ylmethoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC5=CC=CC=C54)C6=CC=CC=C6)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2cccc3c2cccc3)c2ccccc2)C1=O
InChI=1SC37H35N3O2S2c1234511233936(41)34(4437(39)43)24302540(31167681731)3835(30)28192132(222028)42262915121427139101833(27)29h61012222425H25112326H21H3b3424
MFCD18075762
ZINC000097947223
ZINC97947223
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