Vitas-M small molecule compound
ethyl 6-bromo-2-({[3-cyano-4,6-dimethyl-5-(prop-2-en-1-yl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK754891
SMILES CCOC(=O)c1c2cc(O)c(cc2n(c1CSc1nc(C)c(c(c1C#N)C)CC=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 C24H24BrN3O3S MW 514.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrN3O3S/c1-6-8-15-13(3)17(11-26)23(27-14(15)4)32-12-20-22(24(30)31-7-2)16-9-21(29)18(25)10-19(16)28(20)5/h6,9-10,29H,1,7-8,12H2,2-5H3InChIKey
CQJMHLRTWWYFDN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=NC(=C(C(=C3C#N)C)CC=C)C
ethyl6bromo2(((3cyano46dimethyl5(prop2en1yl)pyridin2yl)sulfanyl)methyl)5hydroxy1methyl1Hindole3carboxylate
ETHYL6BROMO2((3CYANO46DIMETHYL5PROP2ENYLPYRIDIN2YL)SULFANYLMETHYL)5HYDROXY1METHYLINDOLE3CARBOXYLATE
InChI=1SC24H24BrN3O3Sc1681513(3)17(1126)23(2714(15)4)32122022(24(30)3172)16921(29)18(25)1019(16)28(20)5h691029H17812H225H3
MFCD00826891
ZINC000008442765
ZINC08442765
ZINC8442765
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