Vitas-M small molecule compound
(1S,5R)-3-({4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-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
STL534706
SMILES CC(=C)COc1ccc2c(c1C)oc(=O)c(c2C)CC(=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 C28H30N2O5 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5/c1-16(2)15-34-24-9-8-21-17(3)22(28(33)35-27(21)18(24)4)11-26(32)29-12-19-10-20(14-29)23-6-5-7-25(31)30(23)13-19/h5-9,19-20H,1,10-15H2,2-4H3/t19-,20+/m0/s1InChIKey
RPCHMZHHNYOOEM-VQTJNVASSA-NSynonyms
(1R5S)3(2(48dimethyl7((2methylallyl)oxy)2oxo2Hchromen3yl)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((48dimethyl7((2methylprop2en1yl)oxy)2oxo2Hchromen3yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC(=C)COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC28H30N2O5c116(2)153424982117(3)22(28(33)3527(21)18(24)4)1126(32)2912191020(1429)2365725(31)30(23)1319h591920H11015H224H3t1920+m0s1
MFCD08283347
ZINC000012890637
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