Vitas-M small molecule compound
(3S,3aS,5S,11bR,Z)-12-ethylidene-6-formyl-3,7-dimethyl-2,3,3a,4,5,7-hexahydro-1H-3,5-ethanopyrrolo[2,3-d]carbazol-3-ium chloride
Catalog ID
STL553357
SMILES C/C=C/1\C[N+]2(C)CC[C@@]34[C@@H]2C[C@@H]1C(=C3N(C)c1c4cccc1)C=O
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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 C21H25N2O MW 321.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N2O/c1-4-14-12-23(3)10-9-21-17-7-5-6-8-18(17)22(2)20(21)16(13-24)15(14)11-19(21)23/h4-8,13,15,19H,9-12H2,1-3H3/q+1/b14-4+/t15-,19-,21+,23?/m0/s1InChIKey
LUFYNCYNXSSUJL-KYEDHNSDSA-NSynonyms
(1~(R)11~(S)12~(Z)17~(S))12ethylidene814dimethyl8aza14azoniapentacyclo(9520^(19)0^(27)0^(1417))octadeca2469tetraene10carbaldehyde
(3S3aS5S11bRZ)12ethylidene6formyl37dimethyl233a457hexahydro1H35ethanopyrrolo(23d)carbazol3iumchloride
39378249
CC=C1C(N+)2(C)CC(C@@)34(C@@H)2C(C@@H)1C(=C3N(C)c1c4cccc1)C=O(Cl)
InChI=1SC21H25N2Oc14141223(3)1092117756818(17)22(2)20(21)16(1324)15(14)1119(21)23h48131519H912H213H3q+1b144+t151921+23?m0s1
ZINC000252461281
ZINC000252461282
ZINC32124376
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