Vitas-M small molecule compound
4-tert-butyl-N-[2-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
Catalog ID
STK724200
SMILES O=C(Nc1c(C)cc(cc1C)C)CSc1sc2c(n1)ccc(c2)NC(=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 C29H31N3O2S2 MW 517.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2S2/c1-17-13-18(2)26(19(3)14-17)32-25(33)16-35-28-31-23-12-11-22(15-24(23)36-28)30-27(34)20-7-9-21(10-8-20)29(4,5)6/h7-15H,16H2,1-6H3,(H,30,34)(H,32,33)InChIKey
NGYNTRHGLUGJLW-UHFFFAOYSA-NSynonyms
5801-80-94tertbutylN(2((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)13benzothiazol6yl)benzamide
4TERTBUTYLN(2(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL13BENZOTHIAZOL6YL)BENZAMIDE
5801809
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C
InChI=1SC29H31N3O2S2c1171318(2)26(19(3)1417)3225(33)1635283123121122(1524(23)3628)3027(34)207921(10820)29(45)6h715H16H216H3(H3034)(H3233)
MFCD01199334
ZINC000003667051
ZINC03667051
ZINC3667051
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