Vitas-M small molecule compound
2-{2-[(6R)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]-2-oxoethyl}-7,8-dimethoxyphthalazin-1(2H)-one
Catalog ID
STL544687
SMILES COc1c(OC)ccc2c1c(=O)n(nc2)CC(=O)N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31
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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 C27H34N4O4 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O4/c1-34-22-9-8-18-14-28-31(27(33)24(18)26(22)35-2)16-23(32)30-11-5-6-17-12-19-13-20(25(17)30)15-29-10-4-3-7-21(19)29/h8-9,12,14,19-21,25H,3-7,10-11,13,15-16H2,1-2H3/t19-,20+,21?,25?/m0/s1InChIKey
WXVGQKSLOIXHMC-NOPCIJJGSA-NSynonyms
2(2((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)78dimethoxyphthalazin1(2H)one
2(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)78dimethoxyphthalazin1(2H)one
COc1c(OC)ccc2c1c(=O)n(nc2)CC(=O)N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC27H34N4O4c134229818142831(27(33)24(18)26(22)352)1623(32)3011561712191320(25(17)30)15291043721(19)29h891214192125H371011131516H212H3t1920+21?25?m0s1
ZINC000225412566
ZINC000252516790
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