Vitas-M small molecule compound
methyl 2-{[(2-nitrophenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL061687
SMILES COC(=O)c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCCC2
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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 C18H18N2O5S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S/c1-25-18(22)16-12-7-3-5-9-14(12)26-17(16)19-15(21)10-11-6-2-4-8-13(11)20(23)24/h2,4,6,8H,3,5,7,9-10H2,1H3,(H,19,21)InChIKey
HGJHCSDMBXNIFG-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC=CC=C3(N+)(=O)(O)
COC(=O)c1c(NC(=O)Cc2ccccc2(N+)(=O)(O))sc2c1CCCC2
InChI=1SC18H18N2O5Sc12518(22)1612735914(12)2617(16)1915(21)1011624813(11)20(23)24h2468H357910H21H3(H1921)
methyl2(((2nitrophenyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(2nitrophenyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04214188
ZINC000001128958
ZINC01128958
ZINC1128958
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