Vitas-M small molecule compound
(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]hex-4-enamide
Catalog ID
STL470184
SMILES COc1c(C/C=C(/CCC(=O)Nc2ccc(cc2)Cn2ncnc2)\C)c(OC)c2c(c1C)COC2=O
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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 C27H30N4O5 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5/c1-17(5-11-21-25(34-3)18(2)22-14-36-27(33)24(22)26(21)35-4)6-12-23(32)30-20-9-7-19(8-10-20)13-31-16-28-15-29-31/h5,7-10,15-16H,6,11-14H2,1-4H3,(H,30,32)/b17-5+InChIKey
FAXGAQCDIOHDHB-YAXRCOADSA-NSynonyms
1282457-49-1(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(4(1H124triazol1ylmethyl)phenyl)hex4enamide
(E)6(46dimethoxy7methyl3oxo1H2benzofuran5yl)4methylN(4(124triazol1ylmethyl)phenyl)hex4enamide
(E)N(4((1H124triazol1yl)methyl)phenyl)6(46dimethoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
1282457491
CC1=C(C(=C(C2=C1COC2=O)OC)CC=C(C)CCC(=O)NC3=CC=C(C=C3)CN4C=NC=N4)OC
COc1c(CC=C(CCC(=O)Nc2ccc(cc2)Cn2ncnc2)C)c(OC)c2c(c1C)COC2=O
InChI=1SC27H30N4O5c117(5112125(343)18(2)22143627(33)24(22)26(21)354)61223(32)30209719(81020)13311628152931h57101516H61114H214H3(H3032)b175+
MFCD18790813
ZINC000062001327
ZINC62001327
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