Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-N-{6-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridin-3-yl}prop-2-enamide
Catalog ID
STL536347
SMILES COc1ccc(cc1OC)/C=C/C(=O)Nc1ccc(nc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C27H28N4O4 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4/c1-34-23-9-6-18(13-24(23)35-2)7-11-26(32)29-21-8-10-25(28-14-21)30-15-19-12-20(17-30)22-4-3-5-27(33)31(22)16-19/h3-11,13-14,19-20H,12,15-17H2,1-2H3,(H,29,32)/b11-7+/t19-,20+/m0/s1InChIKey
WDJWVTNAKCSMBP-ZFYMRNONSA-NSynonyms
(2E)3(34dimethoxyphenyl)N(6((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)pyridin3yl)prop2enamide
(E)3(34dimethoxyphenyl)N(6((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)pyridin3yl)acrylamidehydrochloride
COc1ccc(cc1OC)C=CC(=O)Nc1ccc(nc1)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1Cl
InChI=1SC27H28N4O4c134239618(1324(23)352)71126(32)292181025(281421)3015191220(1730)2243527(33)31(22)1619h31113141920H121517H212H3(H2932)b117+t1920+m0s1
ZINC000062001817
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