Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK758536
SMILES CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CSc1nc(ccc1C#N)CC(C)C)C)Br
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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 C25H26BrN3O4S MW 544.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O4S/c1-6-32-25(31)23-18-10-22(33-15(4)30)19(26)11-20(18)29(5)21(23)13-34-24-16(12-27)7-8-17(28-24)9-14(2)3/h7-8,10-11,14H,6,9,13H2,1-5H3InChIKey
ARQVFVQJJTZICJ-UHFFFAOYSA-NSynonyms
317840-75-8317840758
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CC(C)C)C#N
ETHYL5(ACETYLOXY)6BROMO2(((3CYANO6(2METHYLPROPYL)PYRIDIN2YL)SULFANYL)METHYL)1METHYL1HINDOLE3CARBOXYLATE
ethyl5acetoxy6bromo2(((3cyano6isobutylpyridin2yl)thio)methyl)1methyl1Hindole3carboxylate
ETHYL5ACETYLOXY6BROMO2((3CYANO6(2METHYLPROPYL)PYRIDIN2YL)SULFANYLMETHYL)1METHYLINDOLE3CARBOXYLATE
InChI=1SC25H26BrN3O4Sc163225(31)23181022(3315(4)30)19(26)1120(18)29(5)21(23)13342416(1227)7817(2824)914(2)3h78101114H6913H215H3
MFCD01210278
ZINC000097949540
ZINC97949540
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