Vitas-M small molecule compound
(3S,3aS,5S,11bR,Z)-12-ethylidene-6-formyl-8-methoxy-3-methyl-2,3,3a,4,5,7-hexahydro-1H-3,5-ethanopyrrolo[2,3-d]carbazol-3-ium iodide
Catalog ID
STL553214
SMILES O=CC1=C2Nc3c([C@@]42[C@@H]2C[C@H]1/C(=C/C)/C[N+]2(CC4)C)cccc3OC
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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 C21H25N2O2 MW 337.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O2/c1-4-13-11-23(2)9-8-21-16-6-5-7-17(25-3)19(16)22-20(21)15(12-24)14(13)10-18(21)23/h4-7,12,14,18H,8-11H2,1-3H3/p+1/b13-4+/t14-,18-,21+,23?/m0/s1InChIKey
RYFUCGCTWTVHMS-OAHFFKDNSA-OSynonyms
(1~(R)11~(S)12~(Z)17~(S))12ethylidene6methoxy14methyl8aza14azoniapentacyclo(9520^(19)0^(27)0^(1417))octadeca2(7)359tetraene10carbaldehyde
(3S3aS5S11bRZ)12ethylidene6formyl8methoxy3methyl233a457hexahydro1H35ethanopyrrolo(23d)carbazol3iumiodide
18397907
InChI=1SC21H24N2O2c14131123(2)98211665717(253)19(16)2220(21)15(1224)14(13)1018(21)23h47121418H811H213H3p+1b134+t141821+23?m0s1
O=CC1=C2Nc3c((C@@)42(C@@H)2C(C@H)1C(=CC)C(N+)2(CC4)C)cccc3OC(I)
ZINC000252462390
ZINC000252462391
ZINC32116339
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