Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-6-{[1-(2,6-dichlorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727558
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)Cc1c(Cl)cccc1Cl)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 C28H19Cl2N5OS2 MW 576.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19Cl2N5OS2/c29-22-10-6-11-23(30)21(22)15-34-14-18(19-9-4-5-12-24(19)34)13-20-25(31)35-27(32-26(20)36)38-28(33-35)37-16-17-7-2-1-3-8-17/h1-14,31H,15-16H2/b20-13-,31-25-InChIKey
MIMWBYKQZKXEHQ-AQEDZVTASA-NSynonyms
(6Z)2(benzylsulfanyl)6((1(26dichlorobenzyl)1Hindol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(benzylthio)6((1(26dichlorobenzyl)1Hindol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD03259831
O=C1N=c2sc(nn2C(=N)C1=Cc1cn(c2c1cccc2)Cc1c(Cl)cccc1Cl)SCc1ccccc1
ZINC000001898941
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