Vitas-M small molecule compound
2-((4bS,7S,7aS,8aR,13aR,13bS)-7-methyl-6,7,7a,8,8a,11,13,13a,13b,14-decahydro-5H-7,9-methanooxepino[3,4-a]pyrrolo[2,3-d]carbazol-7-ium-13-yl)acetate
Catalog ID
STL527668
SMILES [O-]C(=O)CC1OCC=C2[C@H]3[C@@H]1[C@@H]1Nc4c([C@@]51[C@H](C3)[N+](C2)(CC5)C)cccc4
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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 C22H26N2O3 MW 366.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O3/c1-24-8-7-22-15-4-2-3-5-16(15)23-21(22)20-14(10-18(22)24)13(12-24)6-9-27-17(20)11-19(25)26/h2-6,14,17-18,20-21,23H,7-12H2,1H3/t14-,17?,18-,20-,21-,22+,24?/m0/s1InChIKey
ZKGBDMFTGPUHJP-BNQNQACHSA-NSynonyms
(O)C(=O)C(C@@H)1OCC=C2(C@H)3(C@@H)1(C@@H)1Nc4c((C@@)51(C@H)(C3)(N+)(C2)(CC5)C)cccc4
135639295
2((4~(S)12~(S)13~(R)19~(R)21~(S))1methyl15oxa11aza1azoniahexacyclo(16310^(412)0^(421)0^(510)0^(1319))docosa57917tetraen14yl)acetate
2((4bS7S7aS8aR13S13aR13bS)7methyl677a88a111313a13b14decahydro5H79methanooxepino(34a)pyrrolo(23d)carbazol7ium13yl)acetate
InChI=1SC22H26N2O3c124872215423516(15)2321(22)2014(1018(22)24)13(1224)692717(20)1119(25)26h26141718202123H712H21H3t1417?18202122+24?m0s1
MFCD03659880
ZINC000252695399
ZINC001772492215
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