Vitas-M small molecule compound
1-{(1E)-1-(3,4-dimethoxyphenyl)-3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxoprop-1-en-2-yl}pyridin-2(1H)-one
Catalog ID
STK129472
SMILES COc1cc(ccc1OC)/C=C(/n1ccccc1=O)\C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
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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 C33H33N3O4 MW 535.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O4/c1-39-29-17-16-25(24-30(29)40-2)23-28(36-18-10-9-15-31(36)37)33(38)35-21-19-34(20-22-35)32(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-18,23-24,32H,19-22H2,1-2H3/b28-23+InChIKey
WBLFAJIWIVFDFT-WEMUOSSPSA-NSynonyms
1((1E)1(34DIMETHOXYPHENYL)3(4(DIPHENYLMETHYL)PIPERAZIN1YL)3OXOPROP1EN2YL)PYRIDIN2(1H)ONE
1((E)3(4benzhydrylpiperazin1yl)1(34dimethoxyphenyl)3oxoprop1en2yl)pyridin2one
COC1=C(C=C(C=C1)C=C(C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N5C=CC=CC5=O)OC
COc1cc(ccc1OC)C=C(n1ccccc1=O)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI=1SC33H33N3O4c13929171625(2430(29)402)2328(36181091531(36)37)33(38)35211934(202235)32(26115361226)27137481427h318232432H1922H212H3b2823+
MFCD09267490
ZINC000097960182
ZINC97960182
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