Vitas-M small molecule compound

N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-9H-xanthene-9-carboxamide

Catalog ID
STK439004
SMILES NC(=O)c1c(sc2c1CCCCC2)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 C24H22N2O3S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O3S/c25-22(27)21-16-10-2-1-3-13-19(16)30-24(21)26-23(28)20-14-8-4-6-11-17(14)29-18-12-7-5-9-15(18)20/h4-9,11-12,20H,1-3,10,13H2,(H2,25,27)(H,26,28)
InChIKey
MHCPASJYMYXRFW-UHFFFAOYSA-N
Synonyms

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
InChI=1SC24H22N2O3Sc2522(27)2116102131319(16)3024(21)2623(28)20148461117(14)29181275915(18)20h49111220H131013H2(H22527)(H2628)
MFCD03380427
N(3carbamoyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)9Hxanthene9carboxamide
ZINC000002754418
ZINC02754418
ZINC2754418

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Available files

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