Vitas-M small molecule compound
(6Z)-6-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorobenzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL238462
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1ccc2c(c1)OCO2)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 C25H16ClN5O4S MW 517.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClN5O4S/c26-18-9-14(3-5-19(18)33-12-15-4-6-20-21(10-15)35-13-34-20)8-17-22(27)31-25(29-23(17)32)36-24(30-31)16-2-1-7-28-11-16/h1-11,27H,12-13H2/b17-8-,27-22-InChIKey
XMSITJWVVZOJCN-QTMIBKBMSA-NSynonyms
843633-09-0(6Z)6(4(13benzodioxol5ylmethoxy)3chlorobenzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(benzo(d)(13)dioxol5ylmethoxy)3chlorobenzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
843633090
MFCD04154616
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(c(c1)Cl)OCc1ccc2c(c1)OCO2)c1cccnc1
ZINC000002399946
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