Vitas-M small molecule compound
1-[(6R)-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-[1-(2-methoxyethyl)-1H-indol-3-yl]propan-1-one
Catalog ID
STL542740
SMILES COCCn1cc(c2c1cccc2)CCC(=O)N1CCCC2=C[C@@H]3C[C@H](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 C29H39N3O2 MW 461.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O2/c1-34-16-15-31-19-22(25-8-2-3-10-27(25)31)11-12-28(33)32-14-6-7-21-17-23-18-24(29(21)32)20-30-13-5-4-9-26(23)30/h2-3,8,10,17,19,23-24,26,29H,4-7,9,11-16,18,20H2,1H3/t23-,24+,26?,29?/m0/s1InChIKey
MMKFPFAKOUNXJZ-NAPONAQISA-NSynonyms
1((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)3(1(2methoxyethyl)1Hindol3yl)propan1one
1((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)3(1(2methoxyethyl)1Hindol3yl)propan1one
COCCn1cc(c2c1cccc2)CCC(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC29H39N3O2c1341615311922(258231027(25)31)111228(33)3214672117231824(29(21)32)20301354926(23)30h23810171923242629H47911161820H21H3t2324+26?29?m0s1
ZINC000225429125
ZINC000252515672
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