Vitas-M small molecule compound

(1S,2S,3aR)-2-(3,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK755352
SMILES N#CC1(C#N)[C@H](c2ccc(c(c2)OC)OC)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C(C)(C)C

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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 C27H27N3O3 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3/c1-26(2,3)25(31)24-23(18-10-12-20(32-4)21(14-18)33-5)27(15-28,16-29)22-13-11-17-8-6-7-9-19(17)30(22)24/h6-14,22-24H,1-5H3/t22-,23-,24+/m1/s1
InChIKey
FUZAFQYOSQBOQA-SMIHKQSGSA-N
Synonyms

(1S2S3aR)2(34dimethoxyphenyl)1(22dimethylpropanoyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)2(34DIMETHOXYPHENYL)1(22DIMETHYLPROPANOYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S3aR)2(34dimethoxyphenyl)1pivaloyl12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
CC(C)(C)C(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=C(C=C4)OC)OC
InChI=1SC27H27N3O3c126(23)25(31)2423(18101220(324)21(1418)335)27(15281629)22131117867919(17)30(22)24h6142224H15H3t222324+m1s1
MFCD01244573
N#CC1(C#N)(C@H)(c2ccc(c(c2)OC)OC)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C(C)(C)C
N#CC1(C#N)C(c2ccc(c(c2)OC)OC)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C(C)(C)C
ZINC000001057961
ZINC01057961
ZINC1057961

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Available files

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