Vitas-M small molecule compound

N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide

Catalog ID
STK433905
SMILES CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1OC)OC

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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 C30H31N3O4S MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O4S/c1-4-7-17-10-12-21-26(14-17)38-30(27(21)28(31)34)33-29(35)22-16-24(32-23-9-6-5-8-19(22)23)20-13-11-18(36-2)15-25(20)37-3/h5-6,8-9,11,13,15-17H,4,7,10,12,14H2,1-3H3,(H2,31,34)(H,33,35)
InChIKey
AVEWVKKWRBLLAV-UHFFFAOYSA-N
Synonyms

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)OC)OC
InChI=1SC30H31N3O4Sc1471710122126(1417)3830(27(21)28(31)34)3329(35)221624(3223965819(22)23)20131118(362)1525(20)373h568911131517H47101214H213H3(H23134)(H3335)
MFCD01341228
N(3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)2(24dimethoxyphenyl)quinoline4carboxamide
ZINC000002082012
ZINC000002082013

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.