Vitas-M small molecule compound
3-{2-[(2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl)oxy]ethyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL512040
SMILES Cc1oc2cc(OCCN3CC4CC(C3)c3n(C4)c(=O)ccc3)ccc2c(=O)c1c1ccccc1
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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 C29H28N2O4 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O4/c1-19-28(21-6-3-2-4-7-21)29(33)24-11-10-23(15-26(24)35-19)34-13-12-30-16-20-14-22(18-30)25-8-5-9-27(32)31(25)17-20/h2-11,15,20,22H,12-14,16-18H2,1H3InChIKey
HRMSVZQXQZQTJP-UHFFFAOYSA-NSynonyms
933659-07-5(1R5S)3(2((2methyl4oxo3phenyl4Hchromen7yl)oxy)ethyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
11(2(2methyl4oxo3phenylchromen7yl)oxyethyl)711diazatricyclo(7310^(27))trideca24dien6one
16416226
3(2((2methyl4oxo3phenyl4Hchromen7yl)oxy)ethyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
933659075
Cc1oc2cc(OCCN3C(C@H)4C(C@@H)(C3)c3n(C4)c(=O)ccc3)ccc2c(=O)c1c1ccccc1
InChI=1SC29H28N2O4c11928(216324721)29(33)24111023(1526(24)3519)3413123016201422(1830)2585927(32)31(25)1720h211152022H12141618H21H3
MFCD09790230
ZINC000008878174
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