Vitas-M small molecule compound
propan-2-yl 2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK430747
SMILES CC(OC(=O)c1c(sc2c1CCCC2)NC(=O)c1ccccc1[N+](=O)[O-])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 C19H20N2O5S MW 388.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O5S/c1-11(2)26-19(23)16-13-8-4-6-10-15(13)27-18(16)20-17(22)12-7-3-5-9-14(12)21(24)25/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,20,22)InChIKey
SMGUTKSIQOJYOH-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
CC(OC(=O)c1c(sc2c1CCCC2)NC(=O)c1ccccc1(N+)(=O)(O))C
InChI=1SC19H20N2O5Sc111(2)2619(23)16138461015(13)2718(16)2017(22)12735914(12)21(24)25h357911H46810H212H3(H2022)
MFCD01243567
propan2yl2(((2nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000000993943
ZINC00993943
ZINC993943
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