Vitas-M small molecule compound
7-(4-chlorophenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884351
SMILES COc1ccc(cc1)NC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)Cl)nc(n2)SCc1ccc(cc1C)C
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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 C29H28ClN5O2S MW 546.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN5O2S/c1-17-5-6-21(18(2)15-17)16-38-29-33-28-31-19(3)25(27(36)32-23-11-13-24(37-4)14-12-23)26(35(28)34-29)20-7-9-22(30)10-8-20/h5-15,26H,16H2,1-4H3,(H,32,36)(H,31,33,34)InChIKey
DOYBUQSLERILEG-UHFFFAOYSA-NSynonyms
7(4chlorophenyl)2((24dimethylbenzyl)sulfanyl)N(4methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
7(4chlorophenyl)2((24dimethylphenyl)methylsulfanyl)N(4methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=CC(=C(C=C1)CSC2=NC3=NC(=C(C(N3N2)C4=CC=C(C=C4)Cl)C(=O)NC5=CC=C(C=C5)OC)C)C
InChI=1SC29H28ClN5O2Sc1175621(18(2)1517)16382933283119(3)25(27(36)3223111324(374)141223)26(35(28)3429)207922(30)10820h51526H16H214H3(H3236)(H313334)
MFCD14980615
ZINC000102454624
ZINC000102454628
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