Vitas-M small molecule compound
(1S,5R)-3-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534718
SMILES Cc1cc(OCC(=O)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)c2c(c1)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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-16-9-22(26-19-5-2-3-6-20(19)27(32)34-23(26)10-16)33-15-25(31)28-12-17-11-18(14-28)21-7-4-8-24(30)29(21)13-17/h4,7-10,17-18H,2-3,5-6,11-15H2,1H3/t17-,18+/m0/s1InChIKey
GVHPMBPTSHBPNN-ZWKOTPCHSA-NSynonyms
(1R5S)3(2((3methyl6oxo78910tetrahydro6Hbenzo(c)chromen1yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((3methyl6oxo78910tetrahydro6Hbenzo(c)chromen1yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Cc1cc(OCC(=O)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)c2c(c1)oc(=O)c1c2CCCC1
InChI=1SC27H28N2O5c116922(2619523620(19)27(32)3423(26)1016)331525(31)2812171118(1428)2174824(30)29(21)1317h47101718H23561115H21H3t1718+m0s1
MFCD08283302
ZINC000008877203
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