Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-2-{[(2-cyano-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK525255
SMILES CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CSC1=C(C#N)C(=O)CC(C1)(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 C24H25BrN2O5S MW 533.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25BrN2O5S/c1-6-31-23(30)22-14-7-20(32-13(2)28)16(25)8-17(14)27(5)18(22)12-33-21-10-24(3,4)9-19(29)15(21)11-26/h7-8H,6,9-10,12H2,1-5H3InChIKey
MWCXGVCLSXADCC-UHFFFAOYSA-NSynonyms
368889-54-7368889547
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C(=O)CC(C3)(C)C)C#N
ethyl5(acetyloxy)6bromo2(((2cyano55dimethyl3oxocyclohex1en1yl)sulfanyl)methyl)1methyl1Hindole3carboxylate
ethyl5acetoxy6bromo2(((2cyano55dimethyl3oxocyclohex1en1yl)thio)methyl)1methyl1Hindole3carboxylate
ETHYL5ACETYLOXY6BROMO2((2CYANO55DIMETHYL3OXOCYCLOHEXEN1YL)SULFANYLMETHYL)1METHYLINDOLE3CARBOXYLATE
InChI=1SC24H25BrN2O5Sc163123(30)2214720(3213(2)28)16(25)817(14)27(5)18(22)1233211024(34)919(29)15(21)1126h78H691012H215H3
MFCD00552035
ZINC000001233154
ZINC1233154
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