Vitas-M small molecule compound
4-butyl-6-chloro-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
STL511533
SMILES CCCCc1cc(=O)oc2c1cc(Cl)c(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 C29H37ClN2O3 MW 497.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37ClN2O3/c1-2-3-7-18-14-26(33)35-29-22(18)15-24(30)28(34)23(29)17-32-11-6-8-19-12-20-13-21(27(19)32)16-31-10-5-4-9-25(20)31/h12,14-15,20-21,25,27,34H,2-11,13,16-17H2,1H3InChIKey
GCTLTJXIRFPHAV-UHFFFAOYSA-NSynonyms
135637999
4butyl6chloro8(((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)methyl)7hydroxy2Hchromen2one
4butyl6chloro8(315diazatetracyclo(7710^(27)0^(1015))heptadec7en3ylmethyl)7hydroxychromen2one
4butyl6chloro8(34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylmethyl)7hydroxy2Hchromen2one
CCCCc1cc(=O)oc2c1cc(Cl)c(c2CN1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)O
InChI=1SC29H37ClN2O3c1237181426(33)352922(18)1524(30)28(34)23(29)173211681912201321(27(19)32)16311054925(20)31h1214152021252734H211131617H21H3
MFCD31751679
ZINC000524729148
ZINC001614472066
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