Vitas-M small molecule compound

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

Catalog ID
STK170026
SMILES COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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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 C19H21NO5S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO5S/c1-23-13-9-8-11(10-14(13)24-2)17(21)20-18-16(19(22)25-3)12-6-4-5-7-15(12)26-18/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKey
IUWBGMKVJJONJN-UHFFFAOYSA-N
Synonyms
330657-83-5
330657835
COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC
InChI=1SC19H21NO5Sc123139811(1014(13)242)17(21)201816(19(22)253)12645715(12)2618h810H47H213H3(H2021)
methyl2(((34dimethoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((34dimethoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01327822
ZINC000000994017
ZINC00994017
ZINC994017

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Available files

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