Vitas-M small molecule compound
(6Z)-6-(4-hydroxy-3-methoxybenzylidene)-5-imino-2-[(2-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727520
SMILES COc1cc(ccc1O)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-12-5-3-4-6-16(12)29-11-18-24-25-19(22)14(20(27)23-21(25)30-18)9-13-7-8-15(26)17(10-13)28-2/h3-10,22,26H,11H2,1-2H3/b14-9-,22-19-InChIKey
IGRJSIOBTBTXQW-JRVZUBJRSA-NSynonyms
(6Z)6(4hydroxy3methoxybenzylidene)5imino2((2methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4hydroxy3methoxybenzylidene)5imino2((otolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1O)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
MFCD03259462
ZINC000013751095
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