Vitas-M small molecule compound
(6E)-6-({1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK062517
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cn(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1)C(F)(F)F
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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 C29H26F3N5O2S MW 565.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26F3N5O2S/c30-29(31,32)27-35-37-25(33)23(26(38)34-28(37)40-27)16-20-17-36(24-9-5-4-8-22(20)24)14-15-39-21-12-10-19(11-13-21)18-6-2-1-3-7-18/h4-5,8-13,16-18,33H,1-3,6-7,14-15H2/b23-16+,33-25+InChIKey
UQLMBISHVBILAT-SBUUPCNCSA-NSynonyms
(6E)6((1(2(4cyclohexylphenoxy)ethyl)1Hindol3yl)methylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
MFCD02753699
O=C1N=c2sc(nn2C(=N)C1=Cc1cn(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1)C(F)(F)F
STK062517
ZINC000097958816
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