Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-butoxy-3-methoxyphenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK043355
SMILES CCCCOc1ccc(cc1OC)[C@@H]1[C@H](N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
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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 C36H39N3O3 MW 561.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H39N3O3/c1-3-4-13-42-29-11-9-27(17-30(29)41-2)32-33(34(40)35-18-23-14-24(19-35)16-25(15-23)20-35)39-28-8-6-5-7-26(28)10-12-31(39)36(32,21-37)22-38/h5-12,17,23-25,31-33H,3-4,13-16,18-20H2,1-2H3/t23?,24?,25?,31-,32-,33+,35?/m1/s1InChIKey
MPQANXLESBBKME-DUKOGOLDSA-NSynonyms
(1S2S3aR)1((3S5S7S)adamantane1carbonyl)2(4butoxy3methoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1(adamantane1carbonyl)2(4butoxy3methoxyphenyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
(1S2S3aR)2(4butoxy3methoxyphenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(1ADAMANTYLCARBONYL)2(4BUTOXY3METHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
CCCCOC1=C(C=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C56CC7CC(C5)CC(C7)C6)OC
CCCCOc1ccc(cc1OC)(C@@H)1(C@H)(N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC36H39N3O3c13413422911927(1730(29)412)3233(34(40)3518231424(1935)1625(1523)2035)3928865726(28)101231(39)36(322137)2238h5121723253133H3413161820H212H3t23?24?25?313233+35?m1s1
STK043355
ZINC000008448694
ZINC08448694
ZINC8448694
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