Vitas-M small molecule compound
(6Z)-6-[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxybenzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL239104
SMILES CCOc1cc(ccc1OCc1ccc2c(c1)OCO2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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 C27H21N5O5S MW 527.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O5S/c1-2-34-22-11-16(5-7-20(22)35-14-17-6-8-21-23(12-17)37-15-36-21)10-19-24(28)32-27(30-25(19)33)38-26(31-32)18-4-3-9-29-13-18/h3-13,28H,2,14-15H2,1H3/b19-10-,28-24-InChIKey
ISDMOVXCEHMAAU-FMSIELJMSA-NSynonyms
848745-15-3(6Z)6(4(13benzodioxol5ylmethoxy)3ethoxybenzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(benzo(d)(13)dioxol5ylmethoxy)3ethoxybenzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848745153
CCOc1cc(ccc1OCc1ccc2c(c1)OCO2)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04195656
ZINC000101170750
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