Vitas-M small molecule compound
3-benzyl-5-{3-[(6R,13S)-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]-3-oxopropyl}-2-hydroxy-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STL545882
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31)CCC1N=C(N(C1=O)Cc1ccccc1)O
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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 C28H36N4O3 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N4O3/c33-25(12-11-23-27(34)32(28(35)29-23)17-19-7-2-1-3-8-19)31-14-6-9-20-15-21-16-22(26(20)31)18-30-13-5-4-10-24(21)30/h1-3,7-8,15,21-24,26H,4-6,9-14,16-18H2,(H,29,35)/t21-,22+,23?,24?,26?/m0/s1InChIKey
QCADCNLAJKTUTI-HYQHRBPCSA-NSynonyms
3benzyl5(3((6R13S)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)3oxopropyl)2hydroxy35dihydro4Himidazol4one
InChI=1SC28H36N4O3c3325(12112327(34)32(28(35)2923)17197213819)3114692015211622(26(20)31)183013541024(21)30h137815212426H469141618H2(H2935)t2122+23?24?26?m0s1
ZINC001615096338
ZINC001615096341
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