Vitas-M small molecule compound
4-ethoxy-N-{[2-methoxy-5-(2-oxo-2H-chromen-3-yl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK355273
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(ccc1OC)c1cc2ccccc2oc1=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 C26H21N3O7S MW 519.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O7S/c1-3-35-23-11-9-17(14-20(23)29(32)33)24(30)28-26(37)27-19-13-15(8-10-22(19)34-2)18-12-16-6-4-5-7-21(16)36-25(18)31/h4-14H,3H2,1-2H3,(H2,27,28,30,37)InChIKey
ZMTYWZIKRLHETA-UHFFFAOYSA-NSynonyms
4ethoxyN((2methoxy5(2oxo2Hchromen3yl)phenyl)carbamothioyl)3nitrobenzamide
4ETHOXYN((2METHOXY5(2OXOCHROMEN3YL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1OC)c1cc2ccccc2oc1=O
InChI=1SC26H21N3O7Sc13352311917(1420(23)29(32)33)24(30)2826(37)27191315(81022(19)342)181216645721(16)3625(18)31h414H3H212H3(H227283037)
MFCD05806547
ZINC000016383829
ZINC16383829
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