Vitas-M small molecule compound

ethyl 3-{[(5-chloro-2-methoxy-4-methylphenyl)sulfonyl]amino}-3-(3-nitrophenyl)propanoate

Catalog ID
STK776849
SMILES CCOC(=O)CC(c1cccc(c1)[N+](=O)[O-])NS(=O)(=O)c1cc(Cl)c(cc1OC)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 C19H21ClN2O7S MW 456.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O7S/c1-4-29-19(23)11-16(13-6-5-7-14(9-13)22(24)25)21-30(26,27)18-10-15(20)12(2)8-17(18)28-3/h5-10,16,21H,4,11H2,1-3H3
InChIKey
QZDXMYNLYXNJLT-UHFFFAOYSA-N
Synonyms

CCOC(=O)CC(C1=CC(=CC=C1)(N+)(=O)(O))NS(=O)(=O)C2=C(C=C(C(=C2)Cl)C)OC
CCOC(=O)CC(c1cccc(c1)(N+)(=O)(O))NS(=O)(=O)c1cc(Cl)c(cc1OC)C
ethyl3(((5chloro2methoxy4methylphenyl)sulfonyl)amino)3(3nitrophenyl)propanoate
ETHYL3((5CHLORO2METHOXY4METHYLPHENYL)SULFONYLAMINO)3(3NITROPHENYL)PROPANOATE
InChI=1SC19H21ClN2O7Sc142919(23)1116(1365714(913)22(24)25)2130(2627)181015(20)12(2)817(18)283h5101621H411H213H3
MFCD05259677
ZINC000012413216
ZINC000012413218

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.