Vitas-M small molecule compound
7-(4-methoxyphenyl)-5-methyl-2-[(2-methylbenzyl)sulfanyl]-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884348
SMILES COc1ccc(cc1)C1C(=C(C)Nc2n1nc(n2)SCc1ccccc1C)C(=O)Nc1ccccc1
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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 C28H27N5O2S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S/c1-18-9-7-8-10-21(18)17-36-28-31-27-29-19(2)24(26(34)30-22-11-5-4-6-12-22)25(33(27)32-28)20-13-15-23(35-3)16-14-20/h4-16,25H,17H2,1-3H3,(H,30,34)(H,29,31,32)InChIKey
UXEXFUFJKABJNW-UHFFFAOYSA-NSynonyms
7(4methoxyphenyl)5methyl2((2methylbenzyl)sulfanyl)Nphenyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
7(4methoxyphenyl)5methyl2((2methylphenyl)methylsulfanyl)Nphenyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=CC=CC=C1CSC2=NC3=NC(=C(C(N3N2)C4=CC=C(C=C4)OC)C(=O)NC5=CC=CC=C5)C
InChI=1SC28H27N5O2Sc1189781021(18)17362831272919(2)24(26(34)3022115461222)25(33(27)3228)20131523(353)161420h41625H17H213H3(H3034)(H293132)
MFCD14748232
ZINC000009608511
ZINC000009608514
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