Vitas-M small molecule compound
(1S,5R)-3-{[(2,2-dimethyl-6-oxo-3,4,6,7,8,9-hexahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-10-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL533944
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=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 C30H32N2O6 MW 516.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O6/c1-30(2)10-9-21-23(38-30)12-24(27-19-5-3-6-20(19)29(35)37-28(21)27)36-16-26(34)31-13-17-11-18(15-31)22-7-4-8-25(33)32(22)14-17/h4,7-8,12,17-18H,3,5-6,9-11,13-16H2,1-2H3/t17-,18+/m0/s1InChIKey
UPUYRXZNDIKZLZ-ZWKOTPCHSA-NSynonyms
(1R5S)3(2((22dimethyl6oxo346789hexahydro2Hcyclopenta(c)pyrano(23h)chromen10yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((22dimethyl6oxo346789hexahydro2Hcyclopenta(c)pyrano(23h)chromen10yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC30H32N2O6c130(2)1092123(3830)1224(271953620(19)29(35)3728(21)27)361626(34)3113171118(1531)2274825(33)32(22)1417h478121718H3569111316H212H3t1718+m0s1
MFCD08283067
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=O)o2
ZINC000012890331
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