Vitas-M small molecule compound
(1S,5R)-3-{[(2,2-dimethyl-6-oxo-3,4,7,8,9,10-hexahydro-2H,6H-benzo[c]pyrano[2,3-h]chromen-11-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534602
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1cc2OC(C)(C)CCc2c2c1c1CCCCc1c(=O)o2
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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 C31H34N2O6 MW 530.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O6/c1-31(2)11-10-22-24(39-31)13-25(28-20-6-3-4-7-21(20)30(36)38-29(22)28)37-17-27(35)32-14-18-12-19(16-32)23-8-5-9-26(34)33(23)15-18/h5,8-9,13,18-19H,3-4,6-7,10-12,14-17H2,1-2H3/t18-,19+/m0/s1InChIKey
FRDWEVWGKLQKJD-RBUKOAKNSA-NSynonyms
(1R5S)3(2((22dimethyl6oxo234678910octahydrobenzo(c)pyrano(23h)chromen11yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((22dimethyl6oxo3478910hexahydro2H6Hbenzo(c)pyrano(23h)chromen11yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC31H34N2O6c131(2)11102224(3931)1325(2820634721(20)30(36)3829(22)28)371727(35)3214181219(1632)2385926(34)33(23)1518h589131819H346710121417H212H3t1819+m0s1
MFCD08742687
ZINC000070708525
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