Vitas-M small molecule compound

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

Catalog ID
STK425702
SMILES COC(=O)c1c(NC(=O)c2ccc(c(c2)OC)OC)sc2c1CCC(C2)C

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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 C20H23NO5S MW 389.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5S/c1-11-5-7-13-16(9-11)27-19(17(13)20(23)26-4)21-18(22)12-6-8-14(24-2)15(10-12)25-3/h6,8,10-11H,5,7,9H2,1-4H3,(H,21,22)
InChIKey
MHQKCSFISKBTNG-UHFFFAOYSA-N
Synonyms
302576-74-5
302576745
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)OC)OC
InChI=1SC20H23NO5Sc111571316(911)2719(17(13)20(23)264)2118(22)126814(242)15(1012)253h681011H579H214H3(H2122)
methyl2(((34dimethoxyphenyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((34dimethoxybenzoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(34dimethoxybenzamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01327831
ZINC000000636820
ZINC000000636824

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Available files

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