Vitas-M small molecule compound
(1S,5R)-3-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]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
STL534274
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3
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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 C25H23ClN2O5 MW 466.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O5/c26-19-8-18-16-3-1-4-17(16)25(31)33-21(18)9-22(19)32-13-24(30)27-10-14-7-15(12-27)20-5-2-6-23(29)28(20)11-14/h2,5-6,8-9,14-15H,1,3-4,7,10-13H2/t14-,15+/m0/s1InChIKey
SYYITVCAXCKXAU-LSDHHAIUSA-NSynonyms
(1R5S)3(2((8chloro4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((8chloro4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC25H23ClN2O5c26198181631417(16)25(31)3321(18)922(19)321324(30)271014715(1227)2052623(29)28(20)1114h256891415H13471013H2t1415+m0s1
MFCD08283474
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3
ZINC000008877456
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