Vitas-M small molecule compound
7-(3-ethoxy-4-hydroxyphenyl)-2-[(2-fluorobenzyl)sulfanyl]-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884312
SMILES CCOc1cc(ccc1O)C1C(=C(C)Nc2n1nc(n2)SCc1ccccc1F)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 C29H28FN5O4S MW 561.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FN5O4S/c1-4-39-24-15-18(13-14-22(24)36)26-25(27(37)32-21-11-7-8-12-23(21)38-3)17(2)31-28-33-29(34-35(26)28)40-16-19-9-5-6-10-20(19)30/h5-15,26,36H,4,16H2,1-3H3,(H,32,37)(H,31,33,34)InChIKey
ADIABVZJYOAPMN-UHFFFAOYSA-NSynonyms
7(3ethoxy4hydroxyphenyl)2((2fluorobenzyl)sulfanyl)N(2methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
7(3ethoxy4hydroxyphenyl)2((2fluorophenyl)methylsulfanyl)N(2methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC(=N3)SCC4=CC=CC=C4F)C)C(=O)NC5=CC=CC=C5OC)O
InChI=1SC29H28FN5O4Sc1439241518(131422(24)36)2625(27(37)322111781223(21)383)17(2)31283329(3435(26)28)4016199561020(19)30h5152636H416H213H3(H3237)(H313334)
MFCD14731065
ZINC000101293588
ZINC000101293592
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