Vitas-M small molecule compound
(6Z)-6-{4-[3-(4-chloro-3-methylphenoxy)propoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL236933
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCCOc1ccc(c(c1)C)Cl)c1cccnc1
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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 C27H22ClN5O3S MW 532.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN5O3S/c1-17-14-21(9-10-23(17)28)36-13-3-12-35-20-7-5-18(6-8-20)15-22-24(29)33-27(31-25(22)34)37-26(32-33)19-4-2-11-30-16-19/h2,4-11,14-16,29H,3,12-13H2,1H3/b22-15-,29-24-InChIKey
YJBBJZWQABBWNO-PQBZVTRNSA-NSynonyms
848735-60-4(6Z)6(4(3(4chloro3methylphenoxy)propoxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(3(4chloro3methylphenoxy)propoxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848735604
MFCD04194460
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(cc1)OCCCOc1ccc(c(c1)C)Cl)c1cccnc1
ZINC000100945432
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