Vitas-M small molecule compound
(1S,5R)-3-{[(4-butyl-6-chloro-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
STL534205
SMILES CCCCc1cc(=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 C26H27ClN2O5 MW 482.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O5/c1-2-3-5-17-9-26(32)34-22-11-23(20(27)10-19(17)22)33-15-25(31)28-12-16-8-18(14-28)21-6-4-7-24(30)29(21)13-16/h4,6-7,9-11,16,18H,2-3,5,8,12-15H2,1H3/t16-,18+/m0/s1InChIKey
KHAMBCHKQKEHIP-FUHWJXTLSA-NSynonyms
(1R5S)3(2((4butyl6chloro2oxo2Hchromen7yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((4butyl6chloro2oxo2Hchromen7yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC26H27ClN2O5c123517926(32)34221123(20(27)1019(17)22)331525(31)281216818(1428)2164724(30)29(21)1316h4679111618H23581215H21H3t1618+m0s1
MFCD08283119
ZINC000008876962
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