Vitas-M small molecule compound

(1S,2R,3aR)-1-[(4-methoxyphenyl)carbonyl]-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK754994
SMILES COc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2C([C@@H]1c1ccsc1)(C#N)C#N

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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 C26H19N3O2S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O2S/c1-31-20-9-6-18(7-10-20)25(30)24-23(19-12-13-32-14-19)26(15-27,16-28)22-11-8-17-4-2-3-5-21(17)29(22)24/h2-14,22-24H,1H3/t22-,23-,24+/m1/s1
InChIKey
KZPWBARPQOSHNM-SMIHKQSGSA-N
Synonyms
293313-02-7
(1S2R3aR)1((4methoxyphenyl)carbonyl)2(thiophen3yl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3aR)1(4methoxybenzoyl)2(thiophen3yl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3AR)1(4METHOXYBENZOYL)2THIOPHEN3YL23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
293313027
COC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CSC=C5
COc1ccc(cc1)C(=O)(C@H)1N2c3ccccc3C=C(C@@H)2C((C@@H)1c1ccsc1)(C#N)C#N
InChI=1SC26H19N3O2Sc131209618(71020)25(30)2423(191213321419)26(15271628)2211817423521(17)29(22)24h2142224H1H3t222324+m1s1
MFCD13372079
ZINC000008809725
ZINC08809725
ZINC8809725

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Available files

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