Vitas-M small molecule compound

2-{[(2-methylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Catalog ID
STK199457
SMILES O=C(Nc1sc2c(c1C(=O)N)CCCCC2)COc1ccccc1C

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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 C19H22N2O3S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O3S/c1-12-7-5-6-9-14(12)24-11-16(22)21-19-17(18(20)23)13-8-3-2-4-10-15(13)25-19/h5-7,9H,2-4,8,10-11H2,1H3,(H2,20,23)(H,21,22)
InChIKey
QTKRZOZWCHPJGS-UHFFFAOYSA-N
Synonyms

2(((2methylphenoxy)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2((2(2methylphenoxy)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
CC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N
InChI=1SC19H22N2O3Sc112756914(12)241116(22)211917(18(20)23)1383241015(13)2519h579H2481011H21H3(H22023)(H2122)
MFCD04277108
ZINC000004739332
ZINC04739332
ZINC4739332

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Available files

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