Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-6-({1-[3-(2,3-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
STK557129
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)CCCOc1cccc(c1C)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/c1-21-10-8-15-28(22(21)2)39-17-9-16-36-19-24(25-13-6-7-14-27(25)36)18-26-29(33)37-31(34-30(26)38)41-32(35-37)40-20-23-11-4-3-5-12-23/h3-8,10-15,18-19,33H,9,16-17,20H2,1-2H3/b26-18-,33-29-InChIKey
RGDWZIOVJUDWPB-WQCONANHSA-NSynonyms
(6Z)2(benzylsulfanyl)6((1(3(23dimethylphenoxy)propyl)1Hindol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(benzylthio)6((1(3(23dimethylphenoxy)propyl)1Hindol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD04022842
O=C1N=c2sc(nn2C(=N)C1=Cc1cn(c2c1cccc2)CCCOc1cccc(c1C)C)SCc1ccccc1
ZINC000097964346
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