Vitas-M small molecule compound
2-[(2,2-dimethyl-6-oxo-3,4,7,8,9,10-hexahydro-2H,6H-benzo[c]pyrano[2,3-h]chromen-11-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide
Catalog ID
STL539229
SMILES O=C(COc1cc2OC(C)(C)CCc2c2c1c1CCCCc1c(=O)o2)NC[C@@H]1CCCN2[C@@H]1CCCC2
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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 C30H40N2O5 MW 508.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O5/c1-30(2)13-12-22-24(37-30)16-25(27-20-9-3-4-10-21(20)29(34)36-28(22)27)35-18-26(33)31-17-19-8-7-15-32-14-6-5-11-23(19)32/h16,19,23H,3-15,17-18H2,1-2H3,(H,31,33)/t19-,23+/m0/s1InChIKey
GZTMGTFVVIZYLG-WMZHIEFXSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2((22dimethyl6oxo3478910hexahydroisochromeno(34f)chromen11yl)oxy)acetamide
2((22dimethyl6oxo234678910octahydrobenzo(c)pyrano(23h)chromen11yl)oxy)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)acetamide
2((22dimethyl6oxo3478910hexahydro2H6Hbenzo(c)pyrano(23h)chromen11yl)oxy)N((1S9aR)octahydro2Hquinolizin1ylmethyl)acetamide
71754183
InChI=1SC30H40N2O5c130(2)13122224(3730)1625(27209341021(20)29(34)3628(22)27)351826(33)31171987153214651123(19)32h161923H3151718H212H3(H3133)t1923+m0s1
O=C(COc1cc2OC(C)(C)CCc2c2c1c1CCCCc1c(=O)o2)NC(C@@H)1CCCN2(C@@H)1CCCC2
ZINC000079192222
ZINC79192222
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