Vitas-M small molecule compound
ethyl 4-{[({3-cyano-6-[3-methyl-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)pyridin-2-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK800694
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1ccc(c(c1)C)OCCC(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 C30H30F3N3O4S MW 585.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30F3N3O4S/c1-5-39-29(38)20-6-9-22(10-7-20)35-27(37)17-41-28-23(16-34)24(30(31,32)33)15-25(36-28)21-8-11-26(19(4)14-21)40-13-12-18(2)3/h6-11,14-15,18H,5,12-13,17H2,1-4H3,(H,35,37)InChIKey
ZICIIBVSNYSAKB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC(=C(C=C3)OCCC(C)C)C)C(F)(F)F)C#N
ethyl4((((3cyano6(3methyl4(3methylbutoxy)phenyl)4(trifluoromethyl)pyridin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2(3cyano6(3methyl4(3methylbutoxy)phenyl)4(trifluoromethyl)pyridin2yl)sulfanylacetyl)amino)benzoate
InChI=1SC30H30F3N3O4Sc153929(38)206922(10720)3527(37)17412823(1634)24(30(3132)33)1525(3628)2181126(19(4)1421)40131218(2)3h611141518H5121317H214H3(H3537)
MFCD06642923
ZINC000098046912
ZINC98046912
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