Vitas-M small molecule compound

2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl 4-tert-butylbenzoate

Catalog ID
STK180019
SMILES Cc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(cc1)C(C)(C)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 C27H28N2O4S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4S/c1-19-9-15-22(16-10-19)29(25-23-7-5-6-8-24(23)34(31,32)28-25)17-18-33-26(30)20-11-13-21(14-12-20)27(2,3)4/h5-16H,17-18H2,1-4H3
InChIKey
WFWYMGLPVCKPQX-UHFFFAOYSA-N
Synonyms

2((11DIOXIDO12BENZISOTHIAZOL3YL)4METHYLANILINO)ETHYL4TERTBUTYLBENZOATE
2((11DIOXIDO12BENZOTHIAZOL3YL)(4METHYLPHENYL)AMINO)ETHYL4TERTBUTYLBENZOATE
2(N(11DIOXO12BENZOTHIAZOL3YL)4METHYLANILINO)ETHYL4TERTBUTYLBENZOATE
CC1=CC=C(C=C1)N(CCOC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC27H28N2O4Sc11991522(161019)29(2523756824(23)34(3132)2825)17183326(30)20111321(141220)27(23)4h516H1718H214H3
MFCD03078849
ZINC000000977604
ZINC00977604
ZINC977604

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Available files

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