Vitas-M small molecule compound
(6Z)-6-({1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK067928
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1)C(C)C
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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 C31H33N5O2S MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O2S/c1-20(2)30-34-36-28(32)26(29(37)33-31(36)39-30)18-23-19-35(27-11-7-6-10-25(23)27)16-17-38-24-14-12-22(13-15-24)21-8-4-3-5-9-21/h6-7,10-15,18-21,32H,3-5,8-9,16-17H2,1-2H3/b26-18-,32-28-InChIKey
MPTJWCMOCNOYTJ-ZHVWJRFMSA-NSynonyms
(6Z)6((1(2(4cyclohexylphenoxy)ethyl)1Hindol3yl)methylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
MFCD08051842
O=C1N=c2sc(nn2C(=N)C1=Cc1cn(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1)C(C)C
STK067928
ZINC000097958894
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