Vitas-M small molecule compound

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

Catalog ID
STK233631
SMILES C=CCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)CC)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 C25H25ClN4O2S MW 481.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN4O2S/c1-4-14-32-23(31)21-16(3)27-24-28-25(33-15-19-8-6-7-9-20(19)26)29-30(24)22(21)18-12-10-17(5-2)11-13-18/h4,6-13,22H,1,5,14-15H2,2-3H3,(H,27,28,29)
InChIKey
NSKOTOKUPJMYGC-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)SCC4=CC=CC=C4Cl)C)C(=O)OCC=C
InChI=1SC25H25ClN4O2Sc14143223(31)2116(3)27242825(331519867920(19)26)2930(24)22(21)18121017(52)111318h461322H151415H223H3(H272829)
MFCD06755110
prop2en1yl2((2chlorobenzyl)sulfanyl)7(4ethylphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
prop2enyl2((2chlorophenyl)methylsulfanyl)7(4ethylphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
PROP2ENYL2((2CHLOROPHENYL)METHYLTHIO)7(4ETHYLPHENYL)5METHYL478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ZINC000009427231
ZINC000009427232

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Available files

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