Vitas-M small molecule compound
(1S,5S)-3-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL578731
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O
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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 C28H34N2O4 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O4/c1-3-4-5-6-8-22-18(2)21-11-12-25(31)23(27(21)34-28(22)33)17-29-14-19-13-20(16-29)24-9-7-10-26(32)30(24)15-19/h7,9-12,19-20,31H,3-6,8,13-17H2,1-2H3/t19-,20+/m0/s1InChIKey
RHWMYOSFCKBTMU-VQTJNVASSA-NSynonyms
(1R5S)3((3hexyl7hydroxy4methyl2oxo2Hchromen8yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3((3hexyl7hydroxy4methyl2oxo2Hchromen8yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCCCCCc1c(=O)oc2c(c1C)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC28H34N2O4c1345682218(2)21111225(31)23(27(21)3428(22)33)172914191320(1629)24971026(32)30(24)1519h7912192031H3681317H212H3t1920+m0s1
MFCD33397187
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