Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-6-({1-[3-(3,4-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK090960
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)CCCOc1ccc(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 C32H29N5O2S2 MW 579.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O2S2/c1-21-13-14-25(17-22(21)2)39-16-8-15-36-19-24(26-11-6-7-12-28(26)36)18-27-29(33)37-31(34-30(27)38)41-32(35-37)40-20-23-9-4-3-5-10-23/h3-7,9-14,17-19,33H,8,15-16,20H2,1-2H3/b27-18-,33-29-InChIKey
ICHVICQDVFCFJQ-ZQXNBSTQSA-NSynonyms
(6Z)2(benzylsulfanyl)6((1(3(34dimethylphenoxy)propyl)1Hindol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
MFCD03566974
O=C1N=c2sc(nn2C(=N)C1=Cc1cn(c2c1cccc2)CCCOc1ccc(c(c1)C)C)SCc1ccccc1
STK090960
ZINC000097959201
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