Vitas-M small molecule compound
(3aR,5R,6R,6aR,11bS,Z)-12-ethylidene-6a-hydroxy-1,2,3a,4,5,6,6a,7-octahydro-3,5-ethanopyrrolo[2,3-d]carbazole-6-carbonitrile
Catalog ID
STL546646
SMILES C/C=C/1\CN2CCC34[C@H]2C[C@@H]1[C@H](C#N)[C@]3(O)Nc1c4cccc1
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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 C19H21N3O MW 307.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O/c1-2-12-11-22-8-7-18-14-5-3-4-6-16(14)21-19(18,23)15(10-20)13(12)9-17(18)22/h2-6,13,15,17,21,23H,7-9,11H2,1H3/b12-2+/t13-,15-,17+,18?,19+/m0/s1InChIKey
LQEBVQWSRVOMDK-DYTNHOCMSA-NSynonyms
(3aR5R6R6aR11bSZ)12ethylidene6ahydroxy123a4566a7octahydro35ethanopyrrolo(23d)carbazole6carbonitrile
(9~(R)10~(R)11~(R)12~(Z)17~(R))12ethylidene9hydroxy814diazapentacyclo(9520^(19)0^(27)0^(1417))octadeca246triene10carbonitrile
110206480
CC=C1CN2CCC34(C@H)2C(C@@H)1(C@H)(C#N)(C@)3(O)Nc1c4cccc1
InChI=1SC19H21N3Oc12121122871814534616(14)2119(1823)15(1020)13(12)917(18)22h261315172123H7911H21H3b122+t131517+18?19+m0s1
MFCD32650033
ZINC000253409274
ZINC000253409276
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