Vitas-M small molecule compound

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

Catalog ID
STK428249
SMILES CCOc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)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 C21H25NO4S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4S/c1-4-25-15-11-9-14(10-12-15)19(23)22-20-18(21(24)26-13(2)3)16-7-5-6-8-17(16)27-20/h9-13H,4-8H2,1-3H3,(H,22,23)
InChIKey
JXZSMXANZTVSEB-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C
InChI=1SC21H25NO4Sc14251511914(101215)19(23)222018(21(24)2613(2)3)16756817(16)2720h913H48H213H3(H2223)
MFCD01339963
propan2yl2(((4ethoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((4ethoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002736643
ZINC02736643
ZINC2736643

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Available files

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