Vitas-M small molecule compound
ethyl 3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}-3-(3-nitrophenyl)propanoate
Catalog ID
STK684275
SMILES CCOC(=O)CC(c1cccc(c1)[N+](=O)[O-])NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C
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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 C19H19N3O7S2 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O7S2/c1-3-29-18(23)11-15(12-5-4-6-13(9-12)22(25)26)20-31(27,28)14-7-8-16-17(10-14)30-19(24)21(16)2/h4-10,15,20H,3,11H2,1-2H3InChIKey
VWPBKGTWIUCHCB-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC(=CC=C1)(N+)(=O)(O))NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)S3)C
CCOC(=O)CC(c1cccc(c1)(N+)(=O)(O))NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C
ethyl3(((3methyl2oxo23dihydro13benzothiazol6yl)sulfonyl)amino)3(3nitrophenyl)propanoate
ETHYL3((3METHYL2OXO13BENZOTHIAZOL6YL)SULFONYLAMINO)3(3NITROPHENYL)PROPANOATE
InChI=1SC19H19N3O7S2c132918(23)1115(1254613(912)22(25)26)2031(2728)14781617(1014)3019(24)21(16)2h4101520H311H212H3
MFCD05260235
ZINC000012413226
ZINC000012413227
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