Vitas-M small molecule compound
prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK233628
SMILES C=CCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)CC)nc(n2)SCc1ccccc1
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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 C25H26N4O2S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O2S/c1-4-15-31-23(30)21-17(3)26-24-27-25(32-16-19-9-7-6-8-10-19)28-29(24)22(21)20-13-11-18(5-2)12-14-20/h4,6-14,22H,1,5,15-16H2,2-3H3,(H,26,27,28)InChIKey
IFMSQQHWHAJATI-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)SCC4=CC=CC=C4)C)C(=O)OCC=C
InChI=1SC25H26N4O2Sc14153123(30)2117(3)26242725(32161997681019)2829(24)22(21)20131118(52)121420h461422H151516H223H3(H262728)
MFCD06755104
prop2en1yl2(benzylsulfanyl)7(4ethylphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
prop2enyl2benzylsulfanyl7(4ethylphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
PROP2ENYL7(4ETHYLPHENYL)5METHYL2(PHENYLMETHYLTHIO)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ZINC000009427225
ZINC000009427226
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