Vitas-M small molecule compound

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

Catalog ID
STK444947
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]

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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 C17H15ClN2O5S MW 394.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN2O5S/c1-25-17(22)14-10-4-2-3-5-13(10)26-16(14)19-15(21)11-8-9(18)6-7-12(11)20(23)24/h6-8H,2-5H2,1H3,(H,19,21)
InChIKey
ZYJZBNFZAKUPNS-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)Cl)(N+)(=O)(O)
COC(=O)c1c(sc2c1CCCC2)NC(=O)c1cc(Cl)ccc1(N+)(=O)(O)
InChI=1SC17H15ClN2O5Sc12517(22)1410423513(10)2616(14)1915(21)1189(18)6712(11)20(23)24h68H25H21H3(H1921)
methyl2(((5chloro2nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((5chloro2nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01346166
ZINC000005526399
ZINC05526399
ZINC5526399

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Available files

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