Vitas-M small molecule compound

N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Catalog ID
STK423563
SMILES CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)CC(C)C

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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 C32H35N3O2S MW 525.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N3O2S/c1-4-7-20-12-15-24-28(17-20)38-32(29(24)30(33)36)35-31(37)25-18-27(34-26-9-6-5-8-23(25)26)22-13-10-21(11-14-22)16-19(2)3/h5-6,8-11,13-14,18-20H,4,7,12,15-17H2,1-3H3,(H2,33,36)(H,35,37)
InChIKey
SCPBVNQSHYZOEZ-UHFFFAOYSA-N
Synonyms

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C
InChI=1SC32H35N3O2Sc1472012152428(1720)3832(29(24)30(33)36)3531(37)251827(3426965823(25)26)22131021(111422)1619(2)3h5681113141820H47121517H213H3(H23336)(H3537)
MFCD01922751
N(3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)2(4(2methylpropyl)phenyl)quinoline4carboxamide
ZINC000002753628
ZINC000002753629

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Available files

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