Vitas-M small molecule compound

prop-2-en-1-yl 2-[(2-chlorobenzyl)sulfanyl]-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Catalog ID
STK233630
SMILES C=CCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)Cl)nc(n2)SCc1ccccc1Cl

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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 C23H20Cl2N4O2S MW 487.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20Cl2N4O2S/c1-3-12-31-21(30)19-14(2)26-22-27-23(32-13-16-6-4-5-7-18(16)25)28-29(22)20(19)15-8-10-17(24)11-9-15/h3-11,20H,1,12-13H2,2H3,(H,26,27,28)
InChIKey
IUSVSVCKIYFLAY-UHFFFAOYSA-N
Synonyms

CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl)C(=O)OCC=C
InChI=1SC23H20Cl2N4O2Sc13123121(30)1914(2)26222723(321316645718(16)25)2829(22)20(19)1581017(24)11915h31120H11213H22H3(H262728)
MFCD06755108
prop2en1yl2((2chlorobenzyl)sulfanyl)7(4chlorophenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
prop2enyl7(4chlorophenyl)2((2chlorophenyl)methylsulfanyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
PROP2ENYL7(4CHLOROPHENYL)2((2CHLOROPHENYL)METHYLTHIO)5METHYL478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ZINC000009427229
ZINC000009427230

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Available files

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