Vitas-M small molecule compound
(6Z)-3-(benzylsulfanyl)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Catalog ID
STK016315
SMILES COc1cc(ccc1OCc1ccccc1Cl)/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
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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 C27H21ClN4O3S2 MW 549.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O3S2/c1-34-23-14-18(11-12-22(23)35-15-19-9-5-6-10-21(19)28)13-20-24(29)32-26(30-25(20)33)37-31-27(32)36-16-17-7-3-2-4-8-17/h2-14,29H,15-16H2,1H3/b20-13-,29-24-InChIKey
CTWQTZOVOWUEJU-AWNUFMCDSA-NSynonyms
531537-72-1(6Z)3(benzylsulfanyl)6(4((2chlorobenzyl)oxy)3methoxybenzylidene)5imino56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
(Z)3(benzylthio)6(4((2chlorobenzyl)oxy)3methoxybenzylidene)5imino5H(124)thiadiazolo(45a)pyrimidin7(6H)one
531537721
COc1cc(ccc1OCc1ccccc1Cl)C=C1C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
MFCD03567059
STK016315
ZINC000101033361
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