Vitas-M small molecule compound

methyl 2-{[3-(3-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK553645
SMILES COC(=O)c1c(NC(=O)CCOc2cccc(c2)C)sc2c1CCCC2

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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 C20H23NO4S MW 373.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4S/c1-13-6-5-7-14(12-13)25-11-10-17(22)21-19-18(20(23)24-2)15-8-3-4-9-16(15)26-19/h5-7,12H,3-4,8-11H2,1-2H3,(H,21,22)
InChIKey
LSKIVJTVEIXEIO-UHFFFAOYSA-N
Synonyms
840462-55-7
840462557
CC1=CC(=CC=C1)OCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC20H23NO4Sc11365714(1213)25111017(22)211918(20(23)242)15834916(15)2619h5712H34811H212H3(H2122)
methyl2((3(3methylphenoxy)propanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(3(3methylphenoxy)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
methyl2(3(mtolyloxy)propanamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD04004547
ZINC000002258474
ZINC02258474
ZINC2258474

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Available files

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