Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-6-({1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727555
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)CCOc1ccc(c(c1)C)C)SCc1ccccc1
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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 C31H27N5O2S2 MW 565.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O2S2/c1-20-12-13-24(16-21(20)2)38-15-14-35-18-23(25-10-6-7-11-27(25)35)17-26-28(32)36-30(33-29(26)37)40-31(34-36)39-19-22-8-4-3-5-9-22/h3-13,16-18,32H,14-15,19H2,1-2H3/b26-17-,32-28-InChIKey
FQIUDJMKLVIQSG-MFNZURQSSA-NSynonyms
(6Z)2(benzylsulfanyl)6((1(2(34dimethylphenoxy)ethyl)1Hindol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(benzylthio)6((1(2(34dimethylphenoxy)ethyl)1Hindol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD03564706
O=C1N=c2sc(nn2C(=N)C1=Cc1cn(c2c1cccc2)CCOc1ccc(c(c1)C)C)SCc1ccccc1
ZINC000097964340
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