Vitas-M small molecule compound

ethyl 2-{[(6-chloro-1,1-dioxido-4-phenyl-2H-1,2,3-benzothiadiazin-2-yl)acetyl]amino}benzoate

Catalog ID
STL082959
SMILES CCOC(=O)c1ccccc1NC(=O)CN1N=C(c2ccccc2)c2c(S1(=O)=O)ccc(c2)Cl

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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 C24H20ClN3O5S MW 497.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O5S/c1-2-33-24(30)18-10-6-7-11-20(18)26-22(29)15-28-27-23(16-8-4-3-5-9-16)19-14-17(25)12-13-21(19)34(28,31)32/h3-14H,2,15H2,1H3,(H,26,29)
InChIKey
JMQYPZXSGGEEGK-UHFFFAOYSA-N
Synonyms
1031619-19-8
1031619198
CCOC(=O)C1=CC=CC=C1NC(=O)CN2N=C(C3=C(S2(=O)=O)C=CC(=C3)Cl)C4=CC=CC=C4
ethyl2(((6chloro11dioxido4phenyl2H123benzothiadiazin2yl)acetyl)amino)benzoate
ethyl2((2(6chloro11dioxo4phenyl1$l^(6)23benzothiadiazin2yl)acetyl)amino)benzoate
InChI=1SC24H20ClN3O5Sc123324(30)1810671120(18)2622(29)15282723(168435916)191417(25)121321(19)34(2831)32h314H215H21H3(H2629)
MFCD15029071
ZINC000021942560
ZINC21942560

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Available files

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