Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-({3-[4-(naphthalen-1-ylmethoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811206
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2cccc3c2cccc3)c2ccccc2)/C1=O)CC
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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 C38H37N3O2S2 MW 631.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H37N3O2S2/c1-3-5-12-27(4-2)24-40-37(42)35(45-38(40)44)23-31-25-41(32-16-7-6-8-17-32)39-36(31)29-19-21-33(22-20-29)43-26-30-15-11-14-28-13-9-10-18-34(28)30/h6-11,13-23,25,27H,3-5,12,24,26H2,1-2H3/b35-23-InChIKey
ZDSKNAFHNYAJAK-NHYZDEDTSA-NSynonyms
(5Z)3(2ethylhexyl)5((3(4(naphthalen1ylmethoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ethylhexyl)5((3(4(naphthalen1ylmethoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC5=CC=CC=C54)C6=CC=CC=C6)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2cccc3c2cccc3)c2ccccc2)C1=O)CC
InChI=1SC38H37N3O2S2c1351227(42)244037(42)35(4538(40)44)23312541(32167681732)3936(31)29192133(222029)43263015111428139101834(28)30h61113232527H35122426H212H3b3523
MFCD06264831
ZINC000097946618
ZINC000097946619
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