Vitas-M small molecule compound
3-benzyl-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-4-methyl-2H-chromen-2-one
Catalog ID
STL511545
SMILES Clc1cc2c(c(c1O)CN1CCCC3=CC4CC(C13)CN1CCCCC41)oc(=O)c(c2C)Cc1ccccc1
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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 C33H37ClN2O3 MW 545.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37ClN2O3/c1-20-25-17-28(34)31(37)27(32(25)39-33(38)26(20)14-21-8-3-2-4-9-21)19-36-13-7-10-22-15-23-16-24(30(22)36)18-35-12-6-5-11-29(23)35/h2-4,8-9,15,17,23-24,29-30,37H,5-7,10-14,16,18-19H2,1H3InChIKey
NICXXONYORAXDD-UHFFFAOYSA-NSynonyms
135638010
3benzyl6chloro8(((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)methyl)7hydroxy4methyl2Hchromen2one
3benzyl6chloro8(315diazatetracyclo(7710^(27)0^(1015))heptadec7en3ylmethyl)7hydroxy4methylchromen2one
3benzyl6chloro8(34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylmethyl)7hydroxy4methyl2Hchromen2one
Clc1cc2c(c(c1O)CN1CCCC3=C(C@H)4C(C@H)((C@H)13)CN1CCCC(C@H)41)oc(=O)c(c2C)Cc1ccccc1
InChI=1SC33H37ClN2O3c120251728(34)31(37)27(32(25)3933(38)26(20)14218324921)1936137102215231624(30(22)36)183512651129(23)35h248915172324293037H571014161819H21H3
MFCD31751691
ZINC000409414080
ZINC001614467770
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