Vitas-M small molecule compound

ethyl 3-({[2-methoxy-5-(propan-2-yl)phenyl]sulfonyl}amino)-3-(3-nitrophenyl)propanoate

Catalog ID
STK776850
SMILES CCOC(=O)CC(c1cccc(c1)[N+](=O)[O-])NS(=O)(=O)c1cc(ccc1OC)C(C)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 C21H26N2O7S MW 450.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O7S/c1-5-30-21(24)13-18(16-7-6-8-17(11-16)23(25)26)22-31(27,28)20-12-15(14(2)3)9-10-19(20)29-4/h6-12,14,18,22H,5,13H2,1-4H3
InChIKey
IFNQVMSKZLYALG-UHFFFAOYSA-N
Synonyms

CCOC(=O)CC(C1=CC(=CC=C1)(N+)(=O)(O))NS(=O)(=O)C2=C(C=CC(=C2)C(C)C)OC
CCOC(=O)CC(c1cccc(c1)(N+)(=O)(O))NS(=O)(=O)c1cc(ccc1OC)C(C)C
ethyl3(((2methoxy5(propan2yl)phenyl)sulfonyl)amino)3(3nitrophenyl)propanoate
ETHYL3((2METHOXY5PROPAN2YLPHENYL)SULFONYLAMINO)3(3NITROPHENYL)PROPANOATE
InChI=1SC21H26N2O7Sc153021(24)1318(1676817(1116)23(25)26)2231(2728)201215(14(2)3)91019(20)294h612141822H513H214H3
MFCD05259678
ZINC000012413220
ZINC000012413222

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Available files

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