Vitas-M small molecule compound
(1S,5R)-3-({[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534465
SMILES COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C29H26N2O6 MW 498.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6/c1-35-21-7-5-19(6-8-21)24-13-29(34)37-26-12-22(9-10-23(24)26)36-17-28(33)30-14-18-11-20(16-30)25-3-2-4-27(32)31(25)15-18/h2-10,12-13,18,20H,11,14-17H2,1H3/t18-,20+/m0/s1InChIKey
KBEVVDQAUSFLFC-AZUAARDMSA-NSynonyms
(1R5S)3(2((4(4methoxyphenyl)2oxo2Hchromen7yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((4(4methoxyphenyl)2oxo2Hchromen7yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC29H26N2O6c135217519(6821)241329(34)37261222(91023(24)26)361728(33)3014181120(1630)2532427(32)31(25)1518h21012131820H111417H21H3t1820+m0s1
MFCD08283392
ZINC000008877313
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