Vitas-M small molecule compound
(1S,2S,3aR)-2-(3,4-dimethoxyphenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK748719
SMILES COc1cc(ccc1OC)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1
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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 C29H23N3O3 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O3/c1-34-23-14-12-21(16-24(23)35-2)26-27(28(33)20-9-4-3-5-10-20)32-22-11-7-6-8-19(22)13-15-25(32)29(26,17-30)18-31/h3-16,25-27H,1-2H3/t25-,26-,27+/m1/s1InChIKey
YAZCJJFYUKCGMM-PFBJBMPXSA-NSynonyms
(1S2S3AR)1BENZOYL2(34DIMETHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(34dimethoxyphenyl)1(phenylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
COC1=C(C=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5)OC
COc1cc(ccc1OC)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1
InChI=1SC29H23N3O3c13423141221(1624(23)352)2627(28(33)2094351020)32221176819(22)131525(32)29(261730)1831h3162527H12H3t252627+m1s1
MFCD13372021
ZINC000004126544
ZINC04126544
ZINC4126544
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