Vitas-M small molecule compound

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

Catalog ID
STK766353
SMILES CC(OC(=O)c1c(NC(=O)COc2ccccc2[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 C20H22N2O6S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6S/c1-12(2)28-20(24)18-13-7-3-6-10-16(13)29-19(18)21-17(23)11-27-15-9-5-4-8-14(15)22(25)26/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,23)
InChIKey
KGUALKPOCOCVOW-UHFFFAOYSA-N
Synonyms
5807-45-4
5807454
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3(N+)(=O)(O)
CC(OC(=O)c1c(NC(=O)COc2ccccc2(N+)(=O)(O))sc2c1CCCC2)C
InChI=1SC20H22N2O6Sc112(2)2820(24)18137361016(13)2919(18)2117(23)112715954814(15)22(25)26h458912H3671011H212H3(H2123)
MFCD02934942
propan2yl2(((2nitrophenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(2nitrophenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000004577182
ZINC04577182
ZINC4577182

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Available files

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