Vitas-M small molecule compound
2-(benzylsulfanyl)-7-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STL221591
SMILES CCOc1ccc(cc1)C1C(=C(C)Nc2n1nc(n2)SCc1ccccc1)C(=O)Nc1ccccc1OC
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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 C29H29N5O3S MW 527.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O3S/c1-4-37-22-16-14-21(15-17-22)26-25(27(35)31-23-12-8-9-13-24(23)36-3)19(2)30-28-32-29(33-34(26)28)38-18-20-10-6-5-7-11-20/h5-17,26H,4,18H2,1-3H3,(H,31,35)(H,30,32,33)InChIKey
JZDVINLYVAJBGU-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)7(4ethoxyphenyl)N(2methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2benzylsulfanyl7(4ethoxyphenyl)N(2methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)SCC4=CC=CC=C4)C)C(=O)NC5=CC=CC=C5OC
InChI=1SC29H29N5O3Sc143722161421(151722)2625(27(35)312312891324(23)363)19(2)30283229(3334(26)28)381820106571120h51726H418H213H3(H3135)(H303233)
MFCD08782425
ZINC000009597529
ZINC000009597530
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