Vitas-M small molecule compound
2-[(3-methoxybenzyl)sulfanyl]-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884335
SMILES COc1cccc(c1)CSc1nn2c(n1)NC(=C(C2c1ccc(cc1)C)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 C29H29N5O2S MW 511.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O2S/c1-18-12-14-22(15-13-18)26-25(27(35)31-24-11-6-5-8-19(24)2)20(3)30-28-32-29(33-34(26)28)37-17-21-9-7-10-23(16-21)36-4/h5-16,26H,17H2,1-4H3,(H,31,35)(H,30,32,33)InChIKey
NHMOZJQNOBDPSM-UHFFFAOYSA-NSynonyms
2((3methoxybenzyl)sulfanyl)5methylN(2methylphenyl)7(4methylphenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2((3methoxyphenyl)methylsulfanyl)5methylN(2methylphenyl)7(4methylphenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)SCC4=CC(=CC=C4)OC)C)C(=O)NC5=CC=CC=C5C
InChI=1SC29H29N5O2Sc118121422(151318)2625(27(35)31241165819(24)2)20(3)30283229(3334(26)28)371721971023(1621)364h51626H17H214H3(H3135)(H303233)
MFCD15075091
ZINC000033085356
ZINC000033085359
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