Vitas-M small molecule compound
(1S,5R)-3-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534062
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl
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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 C23H21ClN2O5 MW 440.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O5/c1-12-15-6-17(24)19(27)8-20(15)31-23(30)16(12)7-22(29)25-9-13-5-14(11-25)18-3-2-4-21(28)26(18)10-13/h2-4,6,8,13-14,27H,5,7,9-11H2,1H3/t13-,14+/m0/s1InChIKey
RAXNGZMLLUDZAC-UONOGXRCSA-NSynonyms
(1R5S)3(2(6chloro7hydroxy4methyl2oxo2Hchromen3yl)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((6chloro7hydroxy4methyl2oxo2Hchromen3yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC23H21ClN2O5c11215617(24)19(27)820(15)3123(30)16(12)722(29)25913514(1125)1832421(28)26(18)1013h2468131427H57911H21H3t1314+m0s1
MFCD08283581
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl
ZINC000008877620
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