Vitas-M small molecule compound
(1S,5R)-3-{[(8,8-dimethyl-2-oxo-4-propyl-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
STL533935
SMILES CCCc1cc(=O)oc2c1c(OCC(=O)N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc1c2CCC(O1)(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 C30H34N2O6 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O6/c1-4-6-19-12-27(35)37-29-21-9-10-30(2,3)38-23(21)13-24(28(19)29)36-17-26(34)31-14-18-11-20(16-31)22-7-5-8-25(33)32(22)15-18/h5,7-8,12-13,18,20H,4,6,9-11,14-17H2,1-3H3/t18-,20+/m0/s1InChIKey
XOFWVRUKHYEFBC-AZUAARDMSA-NSynonyms
(1R5S)3(2((88dimethyl2oxo4propyl28910tetrahydropyrano(23f)chromen5yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((88dimethyl2oxo4propyl910dihydro2H8Hpyrano(23f)chromen5yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCCc1cc(=O)oc2c1c(OCC(=O)N1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)cc1c2CCC(O1)(C)C
InChI=1SC30H34N2O6c146191227(35)37292191030(23)3823(21)1324(28(19)29)361726(34)3114181120(1631)2275825(33)32(22)1518h57812131820H469111417H213H3t1820+m0s1
MFCD08284339
ZINC000008879050
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