Vitas-M small molecule compound
2-(benzylsulfanyl)-7-(3-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884366
SMILES COc1ccc(cc1)NC(=O)C1=C(C)Nc2n(C1c1cccc(c1)Br)nc(n2)SCc1ccccc1
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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 C27H24BrN5O2S MW 562.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrN5O2S/c1-17-23(25(34)30-21-11-13-22(35-2)14-12-21)24(19-9-6-10-20(28)15-19)33-26(29-17)31-27(32-33)36-16-18-7-4-3-5-8-18/h3-15,24H,16H2,1-2H3,(H,30,34)(H,29,31,32)InChIKey
PHBTYRHLURULSI-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)7(3bromophenyl)N(4methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2benzylsulfanyl7(3bromophenyl)N(4methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)NC5=CC=C(C=C5)OC
InChI=1SC27H24BrN5O2Sc11723(25(34)3021111322(352)141221)24(19961020(28)1519)3326(2917)3127(3233)3616187435818h31524H16H212H3(H3034)(H293132)
MFCD14980605
ZINC000102454558
ZINC000102454563
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