Vitas-M small molecule compound
2-[(3-chlorobenzyl)sulfanyl]-7-(3-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884365
SMILES COc1ccc(cc1)NC(=O)C1=C(C)Nc2n(C1c1cccc(c1)F)nc(n2)SCc1cccc(c1)Cl
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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 C27H23ClFN5O2S MW 536.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClFN5O2S/c1-16-23(25(35)31-21-9-11-22(36-2)12-10-21)24(18-6-4-8-20(29)14-18)34-26(30-16)32-27(33-34)37-15-17-5-3-7-19(28)13-17/h3-14,24H,15H2,1-2H3,(H,31,35)(H,30,32,33)InChIKey
USMXESCEWOOGFN-UHFFFAOYSA-NSynonyms
2((3chlorobenzyl)sulfanyl)7(3fluorophenyl)N(4methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2((3chlorophenyl)methylsulfanyl)7(3fluorophenyl)N(4methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC(=CC=C3)Cl)C4=CC(=CC=C4)F)C(=O)NC5=CC=C(C=C5)OC
InChI=1SC27H23ClFN5O2Sc11623(25(35)312191122(362)121021)24(1864820(29)1418)3426(3016)3227(3334)37151753719(28)1317h31424H15H212H3(H3135)(H303233)
MFCD14731003
ZINC000101293106
ZINC000101293111
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