Vitas-M small molecule compound
4-{2-[(3-methoxybenzyl)sulfanyl]-5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Catalog ID
STK884328
SMILES COc1cccc(c1)CSc1nn2c(n1)NC(=C(C2c1ccc(cc1)C(=O)O)C(=O)Nc1ccccc1C)C
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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 C29H27N5O4S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O4S/c1-17-7-4-5-10-23(17)31-26(35)24-18(2)30-28-32-29(39-16-19-8-6-9-22(15-19)38-3)33-34(28)25(24)20-11-13-21(14-12-20)27(36)37/h4-15,25H,16H2,1-3H3,(H,31,35)(H,36,37)(H,30,32,33)InChIKey
IZLFQYFNLIWHCM-UHFFFAOYSA-NSynonyms
4(2((3methoxybenzyl)sulfanyl)5methyl6((2methylphenyl)carbamoyl)47dihydro(124)triazolo(15a)pyrimidin7yl)benzoicacid
4(2((3methoxyphenyl)methylsulfanyl)5methyl6((2methylphenyl)carbamoyl)17dihydro(124)triazolo(15a)pyrimidin7yl)benzoicacid
CC1=CC=CC=C1NC(=O)C2=C(N=C3N=C(NN3C2C4=CC=C(C=C4)C(=O)O)SCC5=CC(=CC=C5)OC)C
InChI=1SC29H27N5O4Sc1177451023(17)3126(35)2418(2)30283229(39161986922(1519)383)3334(28)25(24)20111321(141220)27(36)37h41525H16H213H3(H3135)(H3637)(H303233)
MFCD15075102
ZINC000102694862
ZINC000102694866
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