Vitas-M small molecule compound
(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-N-[(2Z)-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene]-4-methylhex-4-enamide
Catalog ID
STL521571
SMILES COc1c(C/C=C(/CCC(=O)/N=c\2/[nH]c3c(s2)CCCCC3)\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 C26H32N2O5S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O5S/c1-15(11-13-21(29)28-26-27-19-8-6-5-7-9-20(19)34-26)10-12-17-23(31-3)16(2)18-14-33-25(30)22(18)24(17)32-4/h10H,5-9,11-14H2,1-4H3,(H,27,28,29)/b15-10+InChIKey
BPFLAEIGKXEXGZ-XNTDXEJSSA-NSynonyms
1574537-07-7(~(E))6(46dimethoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)(5678tetrahydro4~(H)cyclohepta(d)(13)thiazol2yl)hex4enamide
(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)N((2Z)345678hexahydro2Hcyclohepta(d)(13)thiazol2ylidene)4methylhex4enamide
1574537077
75464672
InChI=1SC26H32N2O5Sc115(111321(29)282627198657920(19)3426)10121723(313)16(2)18143325(30)22(18)24(17)324h10H591114H214H3(H272829)b1510+
MFCD31752302
ZINC000096114744
ZINC96114744
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