Vitas-M small molecule compound
(6E)-2-(1,3-benzodioxol-5-yl)-5-imino-6-{4-[(3-methylbenzyl)oxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225093
SMILES Cc1cccc(c1)COc1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1ccc2c(c1)OCO2
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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 C27H20N4O4S MW 496.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O4S/c1-16-3-2-4-18(11-16)14-33-20-8-5-17(6-9-20)12-21-24(28)31-27(29-25(21)32)36-26(30-31)19-7-10-22-23(13-19)35-15-34-22/h2-13,28H,14-15H2,1H3/b21-12+,28-24-InChIKey
XISBXHUTIWEPEV-HCIBHQNQSA-NSynonyms
(6E)2(13benzodioxol5yl)5imino6(4((3methylbenzyl)oxy)benzylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(benzo(d)(13)dioxol5yl)5imino6(4((3methylbenzyl)oxy)benzylidene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Cc1cccc(c1)COc1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccc2c(c1)OCO2
MFCD24858027
ZINC000080348306
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