Vitas-M small molecule compound
prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK233629
SMILES C=CCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)Cl)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 C23H21ClN4O2S MW 452.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O2S/c1-3-13-30-21(29)19-15(2)25-22-26-23(31-14-16-7-5-4-6-8-16)27-28(22)20(19)17-9-11-18(24)12-10-17/h3-12,20H,1,13-14H2,2H3,(H,25,26,27)InChIKey
IVHGBZOWXXHVNS-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)OCC=C
InChI=1SC23H21ClN4O2Sc13133021(29)1915(2)25222623(3114167546816)2728(22)20(19)1791118(24)121017h31220H11314H22H3(H252627)
MFCD06755107
prop2en1yl2(benzylsulfanyl)7(4chlorophenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
prop2enyl2benzylsulfanyl7(4chlorophenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
PROP2ENYL7(4CHLOROPHENYL)5METHYL2(PHENYLMETHYLTHIO)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ZINC000009427227
ZINC000009427228
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