Vitas-M small molecule compound
2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Catalog ID
STL327838
SMILES [O-][N+](=O)c1ccccc1C(=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 C16H14N2O5S MW 346.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5S/c19-14(9-5-1-3-7-11(9)18(22)23)17-15-13(16(20)21)10-6-2-4-8-12(10)24-15/h1,3,5,7H,2,4,6,8H2,(H,17,19)(H,20,21)InChIKey
OKGUWAGOSCISBC-UHFFFAOYSA-NSynonyms
372974-12-4(O)(N+)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CCCC2
2(((2nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2((2nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2(2nitrobenzamido)4567tetrahydrobenzo(b)thiophene3carboxylicacid
372974124
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3(N+)(=O)(O))C(=O)O
InChI=1SC16H14N2O5Sc1914(9513711(9)18(22)23)171513(16(20)21)10624812(10)2415h1357H2468H2(H1719)(H2021)
MFCD01953644
ZINC000004814986
ZINC4814986
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