Vitas-M small molecule compound

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-9H-xanthene-9-carboxamide

Catalog ID
STK419932
SMILES O=C(C1c2ccccc2Oc2c1cccc2)Nc1sc2c(c1C(=O)N)CCC2

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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 C22H18N2O3S MW 390.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O3S/c23-20(25)19-14-8-5-11-17(14)28-22(19)24-21(26)18-12-6-1-3-9-15(12)27-16-10-4-2-7-13(16)18/h1-4,6-7,9-10,18H,5,8,11H2,(H2,23,25)(H,24,26)
InChIKey
BPXRAPNTUHNLNR-UHFFFAOYSA-N
Synonyms
444933-98-6
444933986
C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
InChI=1SC22H18N2O3Sc2320(25)1914851117(14)2822(19)2421(26)1812613915(12)27161042713(16)18h146791018H5811H2(H22325)(H2426)
MFCD02373160
N(3carbamoyl56dihydro4Hcyclopenta(b)thiophen2yl)9Hxanthene9carboxamide
ZINC000002503233
ZINC02503233
ZINC2503233

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Available files

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