Vitas-M small molecule compound

methyl 6-ethyl-2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK441488
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)C1c2ccccc2Oc2c1cccc2

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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 C26H25NO4S MW 447.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO4S/c1-3-15-12-13-18-21(14-15)32-25(23(18)26(29)30-2)27-24(28)22-16-8-4-6-10-19(16)31-20-11-7-5-9-17(20)22/h4-11,15,22H,3,12-14H2,1-2H3,(H,27,28)
InChIKey
VRACOSVIUYIYCK-UHFFFAOYSA-N
Synonyms

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
InChI=1SC26H25NO4Sc131512131821(1415)3225(23(18)26(29)302)2724(28)22168461019(16)31201175917(20)22h4111522H31214H212H3(H2728)
methyl6ethyl2((9Hxanthen9ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6ethyl2(9Hxanthene9carbonylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03379869
ZINC000002754722
ZINC000002754723

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Available files

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