Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK674888
SMILES CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CSc1nc(C)cc(c1C#N)C(F)(F)F)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 C23H19BrF3N3O4S MW 570.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrF3N3O4S/c1-5-33-22(32)20-13-7-19(34-12(3)31)16(24)8-17(13)30(4)18(20)10-35-21-14(9-28)15(23(25,26)27)6-11(2)29-21/h6-8H,5,10H2,1-4H3InChIKey
QXIQJOJRBUPZFV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N
ETHYL5(ACETYLOXY)6BROMO2(((3CYANO6METHYL4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYL)METHYL)1METHYL1HINDOLE3CARBOXYLATE
ethyl5acetoxy6bromo2(((3cyano6methyl4(trifluoromethyl)pyridin2yl)thio)methyl)1methyl1Hindole3carboxylate
ETHYL5ACETYLOXY6BROMO2((3CYANO6METHYL4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLMETHYL)1METHYLINDOLE3CARBOXYLATE
InChI=1SC23H19BrF3N3O4Sc153322(32)2013719(3412(3)31)16(24)817(13)30(4)18(20)10352114(928)15(23(2526)27)611(2)2921h68H510H214H3
MFCD01210316
ZINC000033355504
ZINC33355504
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