Vitas-M small molecule compound

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

Catalog ID
STK444342
SMILES CC(OC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc2c1CCCC2)C

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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 C19H19N3O7S MW 433.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O7S/c1-10(2)29-19(24)16-14-5-3-4-6-15(14)30-18(16)20-17(23)11-7-12(21(25)26)9-13(8-11)22(27)28/h7-10H,3-6H2,1-2H3,(H,20,23)
InChIKey
XIAIUTXFLUPFNH-UHFFFAOYSA-N
Synonyms
353469-28-0
353469280
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
CC(OC(=O)c1c(NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))sc2c1CCCC2)C
InChI=1SC19H19N3O7Sc110(2)2919(24)1614534615(14)3018(16)2017(23)11712(21(25)26)913(811)22(27)28h710H36H212H3(H2023)
MFCD01328171
propan2yl2(((35dinitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((35dinitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002081295
ZINC02081295
ZINC2081295

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Available files

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