Vitas-M small molecule compound

methyl 3-({[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}oxy)benzoate

Catalog ID
STK684493
SMILES CCOc1nc(NC(=O)NS(=O)(=O)Oc2cccc(c2)C(=O)OC)nc(n1)c1ccccc1

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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 C20H19N5O7S MW 473.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O7S/c1-3-31-20-22-16(13-8-5-4-6-9-13)21-18(24-20)23-19(27)25-33(28,29)32-15-11-7-10-14(12-15)17(26)30-2/h4-12H,3H2,1-2H3,(H2,21,22,23,24,25,27)
InChIKey
RMOZYIDTRMBITO-UHFFFAOYSA-N
Synonyms

CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)OC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3
InChI=1SC20H19N5O7Sc1331202216(138546913)2118(2420)2319(27)2533(2829)32151171014(1215)17(26)302h412H3H212H3(H2212223242527)
methyl3((((4ethoxy6phenyl135triazin2yl)carbamoyl)sulfamoyl)oxy)benzoate
METHYL3((4ETHOXY6PHENYL135TRIAZIN2YL)CARBAMOYLSULFAMOYLOXY)BENZOATE
MFCD05854713
ZINC000012412540
ZINC12412540

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Available files

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