Vitas-M small molecule compound

3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]propyl 2-methylbenzoate

Catalog ID
STK180729
SMILES O=C(c1ccccc1C)OCCCNC1=NS(=O)(=O)c2c1cccc2

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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 C18H18N2O4S MW 358.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O4S/c1-13-7-2-3-8-14(13)18(21)24-12-6-11-19-17-15-9-4-5-10-16(15)25(22,23)20-17/h2-5,7-10H,6,11-12H2,1H3,(H,19,20)
InChIKey
WQDDMUNHEHZRDL-UHFFFAOYSA-N
Synonyms
6468-33-3
21BENZISOTHIAZOL3AMINE13DIHYDRO
3((11DIOXIDO12BENZISOTHIAZOL3YL)AMINO)PROPYL2METHYLBENZOATE
3((11DIOXIDO12BENZOTHIAZOL3YL)AMINO)PROPYL2METHYLBENZOATE
3((11DIOXO12BENZOTHIAZOL3YL)AMINO)PROPYL2METHYLBENZOATE
6468333
CC1=CC=CC=C1C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC18H18N2O4Sc113723814(13)18(21)24126111917159451016(15)25(2223)2017h25710H61112H21H3(H1920)
MFCD03865440
ZINC000002170910
ZINC02170910
ZINC2170910

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Available files

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