Vitas-M small molecule compound
(1S,5R)-3-{2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534231
SMILES CC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Oc1ccc2c(c1C)oc(=O)c1c2CCCC1
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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 C28H30N2O5 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5/c1-16-24(11-10-21-20-6-3-4-7-22(20)28(33)35-26(16)21)34-17(2)27(32)29-13-18-12-19(15-29)23-8-5-9-25(31)30(23)14-18/h5,8-11,17-19H,3-4,6-7,12-15H2,1-2H3/t17?,18-,19+/m0/s1InChIKey
LTDGKTSOPNVHFF-JLMCIHFGSA-NSynonyms
(1R5S)3(2((4methyl6oxo78910tetrahydro6Hbenzo(c)chromen3yl)oxy)propanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(2((4methyl6oxo78910tetrahydro6Hbenzo(c)chromen3yl)oxy)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Oc1ccc2c(c1C)oc(=O)c1c2CCCC1
InChI=1SC28H30N2O5c11624(11102120634722(20)28(33)3526(16)21)3417(2)27(32)2913181219(1529)2385925(31)30(23)1418h58111719H34671215H212H3t17?1819+m0s1
MFCD08283484
ZINC000008877469
ZINC000008877471
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