Vitas-M small molecule compound
ethyl 2-(benzylsulfanyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK217673
SMILES 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 C24H26N4O2S MW 434.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O2S/c1-4-17-11-13-19(14-12-17)21-20(22(29)30-5-2)16(3)25-23-26-24(27-28(21)23)31-15-18-9-7-6-8-10-18/h6-14,21H,4-5,15H2,1-3H3,(H,25,26,27)InChIKey
BIHCYPVNEKHLTF-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)SCC4=CC=CC=C4)C)C(=O)OCC
ethyl2(benzylsulfanyl)7(4ethylphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ETHYL2BENZYLSULFANYL7(4ETHYLPHENYL)5METHYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(4ETHYLPHENYL)5METHYL2(PHENYLMETHYLTHIO)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC24H26N4O2Sc1417111319(141217)2120(22(29)3052)16(3)25232624(2728(21)23)31151897681018h61421H4515H213H3(H252627)
MFCD06604051
ZINC000010059681
ZINC000010059682
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