Vitas-M small molecule compound
methyl (1R,2R,3S)-1-[(4-chlorophenyl)carbonyl]-3-cyano-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK544044
SMILES COC(=O)[C@@]1(C#N)[C@@H](c2ccco2)[C@@H](N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
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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 C26H19ClN2O4 MW 458.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O4/c1-32-25(31)26(15-28)21-13-10-16-5-2-3-6-19(16)29(21)23(22(26)20-7-4-14-33-20)24(30)17-8-11-18(27)12-9-17/h2-14,21-23H,1H3/t21?,22-,23+,26+/m0/s1InChIKey
TWHDJNHIOXEHMA-MCGZXDSGSA-NSynonyms
1014061-55-2(1R2R3S)methyl1(4chlorobenzoyl)3cyano2(furan2yl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014061552
COC(=O)(C@@)1(C#N)(C@@H)(c2ccco2)(C@@H)(N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=CO4)C(=O)C5=CC=C(C=C5)Cl)C#N
InChI=1SC26H19ClN2O4c13225(31)26(1528)21131016523619(16)29(21)23(22(26)2074143320)24(30)1781118(27)12917h2142123H1H3t21?2223+26+m0s1
methyl(1R2R3S)1((4chlorophenyl)carbonyl)3cyano2(furan2yl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1R2R3S)1(4chlorobenzoyl)3cyano2(furan2yl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242122
ZINC000009379715
ZINC000009379716
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