Vitas-M small molecule compound
(1S,5R)-3-{[(6-chloro-2-oxo-4-propyl-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
STL534178
SMILES CCCc1cc(=O)oc2c1cc(Cl)c(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 C25H25ClN2O5 MW 468.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O5/c1-2-4-16-8-25(31)33-21-10-22(19(26)9-18(16)21)32-14-24(30)27-11-15-7-17(13-27)20-5-3-6-23(29)28(20)12-15/h3,5-6,8-10,15,17H,2,4,7,11-14H2,1H3/t15-,17+/m0/s1InChIKey
BXKMPIOCMMVMBM-DOTOQJQBSA-NSynonyms
(1R5S)3(2((6chloro2oxo4propyl2Hchromen7yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((6chloro2oxo4propyl2Hchromen7yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H25ClN2O5c12416825(31)33211022(19(26)918(16)21)321424(30)271115717(1327)2053623(29)28(20)1215h3568101517H2471114H21H3t1517+m0s1
MFCD08283587
ZINC000008877633
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