Vitas-M small molecule compound

N,N'-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide

Catalog ID
STK460342
SMILES CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)CCCC(=O)Nc1sc2c(c1C(=O)N)CCC(C2)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 C25H32N4O4S2 MW 516.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4S2/c1-12-6-8-14-16(10-12)34-24(20(14)22(26)32)28-18(30)4-3-5-19(31)29-25-21(23(27)33)15-9-7-13(2)11-17(15)35-25/h12-13H,3-11H2,1-2H3,(H2,26,32)(H2,27,33)(H,28,30)(H,29,31)
InChIKey
XUJYSYRHRBRGPS-UHFFFAOYSA-N
Synonyms

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)N
InChI=1SC25H32N4O4S2c112681416(1012)3424(20(14)22(26)32)2818(30)43519(31)292521(23(27)33)159713(2)1117(15)3525h1213H311H212H3(H22632)(H22733)(H2830)(H2931)
MFCD03404986
NNbis(3carbamoyl6methyl4567tetrahydro1benzothiophen2yl)pentanediamide
ZINC000020572202
ZINC000020572206

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Available files

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