Vitas-M small molecule compound

4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl chloro(phenyl)acetate

Catalog ID
STK803231
SMILES O=C(C(c1ccccc1)Cl)Oc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)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 C22H17ClN2O4S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O4S/c1-25(21-18-9-5-6-10-19(18)30(27,28)24-21)16-11-13-17(14-12-16)29-22(26)20(23)15-7-3-2-4-8-15/h2-14,20H,1H3
InChIKey
VYNMIZTWWAFUEJ-UHFFFAOYSA-N
Synonyms

(4((11DIOXO12BENZOTHIAZOL3YL)METHYLAMINO)PHENYL)2CHLORO2PHENYLACETATE
4((11dioxido12benzothiazol3yl)(methyl)amino)phenylchloro(phenyl)acetate
CN(C1=CC=C(C=C1)OC(=O)C(C2=CC=CC=C2)Cl)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC22H17ClN2O4Sc125(21189561019(18)30(2728)2421)16111317(141216)2922(26)20(23)157324815h21420H1H3
MFCD04083645
ZINC000019632672
ZINC000019632677

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Available files

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