Vitas-M small molecule compound
(1S,5R)-3-{2-[(4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL009035
SMILES Cc1cc(OC(C(=O)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C)c2c(c1)oc(=O)cc2C
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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 C25H26N2O5 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O5/c1-14-7-20(24-15(2)9-23(29)32-21(24)8-14)31-16(3)25(30)26-11-17-10-18(13-26)19-5-4-6-22(28)27(19)12-17/h4-9,16-18H,10-13H2,1-3H3/t16?,17-,18+/m0/s1InChIKey
NIYUNFSVJZLKDB-UQJFVLDMSA-NSynonyms
(1R5S)3(2((47dimethyl2oxo2Hchromen5yl)oxy)propanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(2((47dimethyl2oxo2Hchromen5yl)oxy)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(C)C(=O)N3CC4CC(C3)C5=CC=CC(=O)N5C4
Cc1cc(OC(C(=O)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C)c2c(c1)oc(=O)cc2C
InChI=1SC25H26N2O5c114720(2415(2)923(29)3221(24)814)3116(3)25(30)2611171018(1326)1954622(28)27(19)1217h491618H1013H213H3t16?1718+m1s1
MFCD08741911
ZINC000008879208
ZINC000008879210
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