Vitas-M small molecule compound
4-butyl-8-(3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylmethyl)-7-hydroxy-2H-chromen-2-one
Catalog ID
STL511530
SMILES CCCCc1cc(=O)oc2c1ccc(c2CN1CCCC2=CC3CC(C12)CN1CCCCC31)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 C29H38N2O3 MW 462.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O3/c1-2-3-7-19-16-27(33)34-29-23(19)10-11-26(32)24(29)18-31-13-6-8-20-14-21-15-22(28(20)31)17-30-12-5-4-9-25(21)30/h10-11,14,16,21-22,25,28,32H,2-9,12-13,15,17-18H2,1H3InChIKey
AVOZBAFBLQKTAN-UHFFFAOYSA-NSynonyms
135637996
4butyl8(((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)methyl)7hydroxy2Hchromen2one
4butyl8(315diazatetracyclo(7710^(27)0^(1015))heptadec7en3ylmethyl)7hydroxychromen2one
4butyl8(34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylmethyl)7hydroxy2Hchromen2one
CCCCc1cc(=O)oc2c1ccc(c2CN1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)O
InChI=1SC29H38N2O3c1237191627(33)342923(19)101126(32)24(29)183113682014211522(28(20)31)17301254925(21)30h101114162122252832H291213151718H21H3
MFCD31751676
ZINC000524730242
ZINC001614467815
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