Vitas-M small molecule compound

(5S)-3-{[(4-oxo-3-phenyl-4H-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
STL537588
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1ccc2c(c1)occ(c2=O)c1ccccc1

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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 C28H24N2O5 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5/c31-26-8-4-7-24-20-11-18(14-30(24)26)13-29(15-20)27(32)17-34-21-9-10-22-25(12-21)35-16-23(28(22)33)19-5-2-1-3-6-19/h1-10,12,16,18,20H,11,13-15,17H2/t18-,20+/m0/s1
InChIKey
DAOIVUVMACGQGG-AZUAARDMSA-N
Synonyms
1014103-38-8
(1~(R)9~(S))11(2(4oxo3phenylchromen7yl)oxyacetyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3(2((4oxo3phenyl4Hchromen7yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(5S)3(((4oxo3phenyl4Hchromen7yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
1014103388
17571748
InChI=1SC28H24N2O5c312684724201118(1430(24)26)1329(1520)27(32)1734219102225(1221)351623(28(22)33)195213619h11012161820H11131517H2t1820+m0s1
MFCD09843397
O=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)COc1ccc2c(c1)occ(c2=O)c1ccccc1
ZINC000012899110
ZINC12899110

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Available files

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