Vitas-M small molecule compound

2-{[(3-chlorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Catalog ID
STK744765
SMILES Clc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)O)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 C16H14ClNO3S MW 335.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClNO3S/c17-10-5-3-4-9(8-10)14(19)18-15-13(16(20)21)11-6-1-2-7-12(11)22-15/h3-5,8H,1-2,6-7H2,(H,18,19)(H,20,21)
InChIKey
ZIBNVGXCZYAFJE-UHFFFAOYSA-N
Synonyms
312940-61-7
2(((3chlorophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2((3chlorobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2(3chlorobenzamido)4567tetrahydrobenzo(b)thiophene3carboxylicacid
312940617
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)O
InChI=1SC16H14ClNO3Sc17105349(810)14(19)181513(16(20)21)11612712(11)2215h358H1267H2(H1819)(H2021)
MFCD01950844
ZINC000000227470
ZINC227470

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Available files

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