Vitas-M small molecule compound
3-cyano-2-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide
Catalog ID
STK784858
SMILES COc1ccc(cc1OC)C1C(C(=O)c2ccc(cc2)F)N2C(C1(C#N)C(=O)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 C29H24FN3O4 MW 497.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN3O4/c1-36-22-13-9-19(15-23(22)37-2)25-26(27(34)18-7-11-20(30)12-8-18)33-21-6-4-3-5-17(21)10-14-24(33)29(25,16-31)28(32)35/h3-15,24-26H,1-2H3,(H2,32,35)InChIKey
BTWIUJSVDQBTAW-UHFFFAOYSA-NSynonyms
3cyano2(34dimethoxyphenyl)1((4fluorophenyl)carbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxamide
3CYANO2(34DIMETHOXYPHENYL)1(4FLUOROBENZOYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE3CARBOXAMIDE
COC1=C(C=C(C=C1)C2C(N3C(C2(C#N)C(=O)N)C=CC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)F)OC
InChI=1SC29H24FN3O4c1362213919(1523(22)372)2526(27(34)1871120(30)12818)3321643517(21)101424(33)29(251631)28(32)35h3152426H12H3(H23235)
MFCD07657215
ZINC000012371259
ZINC000248122321
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