Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-N-(5-benzyl-3-carbamoylthiophen-2-yl)quinoline-4-carboxamide
Catalog ID
STK428583
SMILES O=C(c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2)Nc1sc(cc1C(=O)N)Cc1ccccc1
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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 C29H21N3O4S MW 507.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O4S/c30-27(33)22-14-19(12-17-6-2-1-3-7-17)37-29(22)32-28(34)21-15-24(31-23-9-5-4-8-20(21)23)18-10-11-25-26(13-18)36-16-35-25/h1-11,13-15H,12,16H2,(H2,30,33)(H,32,34)InChIKey
ILCFPEYVFVIWSZ-UHFFFAOYSA-NSynonyms
2((2(2HBENZO(34D)13DIOXOLEN5YL)(4QUINOLYL))CARBONYLAMINO)5BENZYLTHIOPHENE3CARBOXAMIDE
2(13benzodioxol5yl)N(5benzyl3carbamoylthiophen2yl)quinoline4carboxamide
C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=C(C=C(S5)CC6=CC=CC=C6)C(=O)N
InChI=1SC29H21N3O4Sc3027(33)221419(12176213717)3729(22)3228(34)211524(3123954820(21)23)1810112526(1318)36163525h1111315H1216H2(H23033)(H3234)
MFCD03233308
ZINC000000647938
ZINC00647938
ZINC647938
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