Vitas-M small molecule compound
(4aR)-8-[(2E)-3-(dimethylamino)prop-2-enoyl]-5,7-dihydroxy-1-(4-methoxyphenyl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL561927
SMILES COc1ccc(cc1)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3C(=O)/C=C/N(C)C)O)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 C28H27N3O6 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6/c1-14-24(33)22(19(32)11-12-30(4)5)26-23(25(14)34)28(3)20(37-26)13-18-21(27(28)35)15(2)29-31(18)16-7-9-17(36-6)10-8-16/h7-13,33-34H,1-6H3/b12-11+/t28-/m0/s1InChIKey
ONBNVIYTCZUVAV-FUVDXTNESA-NSynonyms
(4aR)8((2E)3(dimethylamino)prop2enoyl)57dihydroxy1(4methoxyphenyl)34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(4aR)8((E)3(dimethylamino)prop2enoyl)57dihydroxy1(4methoxyphenyl)34a6trimethyl(1)benzofuro(32f)indazol4one
(RE)8(3(dimethylamino)acryloyl)57dihydroxy1(4methoxyphenyl)34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
145705281
COc1ccc(cc1)n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C=CN(C)C)O)C)C
InChI=1SC28H27N3O6c11424(33)22(19(32)111230(4)5)2623(25(14)34)28(3)20(3726)131821(27(28)35)15(2)2931(18)167917(366)10816h7133334H16H3b1211+t28m0s1
MFCD32650985
ZINC001848443403
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