Vitas-M small molecule compound

(1S,5R)-3-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL534145
SMILES O=c1cc(C)c2c(o1)c1CCC(Oc1cc2OCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)(C)C

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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 C28H30N2O6 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O6/c1-16-9-25(33)35-27-19-7-8-28(2,3)36-21(19)11-22(26(16)27)34-15-24(32)29-12-17-10-18(14-29)20-5-4-6-23(31)30(20)13-17/h4-6,9,11,17-18H,7-8,10,12-15H2,1-3H3/t17-,18+/m0/s1
InChIKey
IBENKYZBPCCSEN-ZWKOTPCHSA-N
Synonyms

(1R5S)3(2((488trimethyl2oxo28910tetrahydropyrano(23f)chromen5yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((488trimethyl2oxo910dihydro2H8Hpyrano(23f)chromen5yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC28H30N2O6c116925(33)3527197828(23)3621(19)1122(26(16)27)341524(32)2912171018(1429)2054623(31)30(20)1317h469111718H78101215H213H3t1718+m0s1
MFCD08283664
O=c1cc(C)c2c(o1)c1CCC(Oc1cc2OCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)(C)C
ZINC000008877804

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Available files

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