Vitas-M small molecule compound
4-{[(2E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide
Catalog ID
STL539641
SMILES COc1cc(OC)ccc1/C=C/C(=O)Nc1ccc(cc1)C(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2
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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/c1-34-24-14-10-20(26(18-24)35-2)11-15-27(32)30-23-12-8-21(9-13-23)28(33)29-19-22-6-5-17-31-16-4-3-7-25(22)31/h8-15,18,22,25H,3-7,16-17,19H2,1-2H3,(H,29,33)(H,30,32)/b15-11+/t22-,25+/m0/s1InChIKey
SHHXVPUYTPTORY-CMIONIEMSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)4(((~(E))3(24dimethoxyphenyl)prop2enoyl)amino)benzamide
4(((2E)3(24dimethoxyphenyl)prop2enoyl)amino)N((1S9aR)octahydro2Hquinolizin1ylmethyl)benzamide
4((E)3(24dimethoxyphenyl)acrylamido)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)benzamide
71755096
COc1cc(OC)ccc1C=CC(=O)Nc1ccc(cc1)C(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC28H35N3O4c13424141020(26(1824)352)111527(32)302312821(91323)28(33)2919226517311643725(22)31h815182225H37161719H212H3(H2933)(H3032)b1511+t2225+m0s1
ZINC000085878754
ZINC85878754
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