Vitas-M small molecule compound

3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl 4-bromobenzoate

Catalog ID
STK135647
SMILES Brc1ccc(cc1)C(=O)OCCCN(C1=NS(=O)(=O)c2c1cccc2)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 C23H19BrN2O4S MW 499.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN2O4S/c24-18-13-11-17(12-14-18)23(27)30-16-6-15-26(19-7-2-1-3-8-19)22-20-9-4-5-10-21(20)31(28,29)25-22/h1-5,7-14H,6,15-16H2
InChIKey
HGRRZDPUCUJNFT-UHFFFAOYSA-N
Synonyms

3((11DIOXIDO12BENZOTHIAZOL3YL)(PHENYL)AMINO)PROPYL4BROMOBENZOATE
3(N(11DIOXO12BENZOTHIAZOL3YL)ANILINO)PROPYL4BROMOBENZOATE
C1=CC=C(C=C1)N(CCCOC(=O)C2=CC=C(C=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC23H19BrN2O4Sc2418131117(121418)23(27)301661526(197213819)22209451021(20)31(2829)2522h15714H61516H2
MFCD01235006
ZINC000009851022
ZINC09851022
ZINC9851022

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Available files

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