Vitas-M small molecule compound
ethyl 6-{[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]methyl}-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK694641
SMILES CCOC(=O)C1=C(COc2nnc(c(n2)c2ccccc2)c2ccccc2)N(C(=O)NC1c1ccc(cc1)OC)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 C31H29N5O5 MW 551.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O5/c1-4-40-29(37)25-24(36(2)31(38)33-26(25)22-15-17-23(39-3)18-16-22)19-41-30-32-27(20-11-7-5-8-12-20)28(34-35-30)21-13-9-6-10-14-21/h5-18,26H,4,19H2,1-3H3,(H,33,38)InChIKey
KACOLFDYYSNETE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)OC)C)COC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5
ethyl4((56diphenyl124triazin3yl)oxymethyl)6(4methoxyphenyl)3methyl2oxo16dihydropyrimidine5carboxylate
ethyl6(((56diphenyl124triazin3yl)oxy)methyl)4(4methoxyphenyl)1methyl2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC31H29N5O5c144029(37)2524(36(2)31(38)3326(25)22151723(393)181622)1941303227(20117581220)28(343530)211396101421h51826H419H213H3(H3338)
MFCD12034809
ZINC000100243282
ZINC000100243283
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