Vitas-M small molecule compound
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carboxamide
Catalog ID
STL511609
SMILES COc1ccc(cc1)C(C(C)C)NC(=O)N1CCCC2=CC3CC(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 C27H39N3O2 MW 437.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N3O2/c1-18(2)25(19-9-11-23(32-3)12-10-19)28-27(31)30-14-6-7-20-15-21-16-22(26(20)30)17-29-13-5-4-8-24(21)29/h9-12,15,18,21-22,24-26H,4-8,13-14,16-17H2,1-3H3,(H,28,31)InChIKey
XMWGZGZHKRWCFG-UHFFFAOYSA-NSynonyms
(6S6aS13S13aR)N(1(4methoxyphenyl)2methylpropyl)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carboxamide
~(N)(1(4methoxyphenyl)2methylpropyl)315diazatetracyclo(7710^(27)0^(1015))heptadec7ene3carboxamide
135638038
COc1ccc(cc1)(C@@H)(C(C)C)NC(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@@H)31
InChI=1SC27H39N3O2c118(2)25(1991123(323)121019)2827(31)3014672015211622(26(20)30)17291354824(21)29h912151821222426H4813141617H213H3(H2831)
MFCD31751729
N(1(4methoxyphenyl)2methylpropyl)34678910121313adecahydro2H613methanodipyrido(12a32e)azocine1(6aH)carboxamide
ZINC000604406006
ZINC000886025720
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