Vitas-M small molecule compound
4-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide
Catalog ID
STL539733
SMILES COc1cc(/C=C/C(=O)Nc2ccc(cc2)C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3)ccc1OC
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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 C28H35N3O4 MW 477.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O4/c1-34-25-14-8-20(18-26(25)35-2)9-15-27(32)30-23-12-10-21(11-13-23)28(33)29-19-22-6-5-17-31-16-4-3-7-24(22)31/h8-15,18,22,24H,3-7,16-17,19H2,1-2H3,(H,29,33)(H,30,32)/b15-9+/t22-,24+/m0/s1InChIKey
YDMXEXBMDNXHJE-WEEWSOIPSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)4(((~(E))3(34dimethoxyphenyl)prop2enoyl)amino)benzamide
4(((2E)3(34dimethoxyphenyl)prop2enoyl)amino)N((1S9aR)octahydro2Hquinolizin1ylmethyl)benzamide
4((E)3(34dimethoxyphenyl)acrylamido)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)benzamide
71754633
COc1cc(C=CC(=O)Nc2ccc(cc2)C(=O)NC(C@@H)2CCCN3(C@@H)2CCCC3)ccc1OC
InChI=1SC28H35N3O4c1342514820(1826(25)352)91527(32)3023121021(111323)28(33)2919226517311643724(22)31h815182224H37161719H212H3(H2933)(H3032)b159+t2224+m0s1
ZINC000085875976
ZINC85875976
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