Vitas-M small molecule compound
2-benzyl-3-hydroxy-6,6,9-trimethyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidin-1-one
Catalog ID
STL565707
SMILES CC1CCC2C(C1)c1c(OC2(C)C)nc(n(c1=O)Cc1ccccc1)O
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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 C21H26N2O3 MW 354.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3/c1-13-9-10-16-15(11-13)17-18(26-21(16,2)3)22-20(25)23(19(17)24)12-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,22,25)InChIKey
FRZLAMLRYVTAQU-UHFFFAOYSA-NSynonyms
1005118-98-81005118988
2benzyl3hydroxy669trimethyl266a7891010aoctahydro1Hisochromeno(34d)pyrimidin1one
2benzyl669trimethyl6a7891010ahexahydro4Hisochromeno(34d)pyrimidine13dione
3847915
InChI=1SC21H26N2O3c1139101615(1113)1718(2621(162)3)2220(25)23(19(17)24)12147546814h48131516H912H213H3(H2225)
MFCD08732590
ZINC000002102792
ZINC000253487140
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