Vitas-M small molecule compound
N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1'-oxo-2'-(tetrahydrofuran-2-ylmethyl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL539799
SMILES O=C(C1c2ccccc2C(=O)N(C21CCCC2)CC1CCCO1)NC[C@@H]1CCCN2[C@@H]1CCCC2
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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 C29H41N3O3 MW 479.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41N3O3/c33-27(30-19-21-9-7-17-31-16-6-3-13-25(21)31)26-23-11-1-2-12-24(23)28(34)32(20-22-10-8-18-35-22)29(26)14-4-5-15-29/h1-2,11-12,21-22,25-26H,3-10,13-20H2,(H,30,33)/t21-,22?,25+,26?/m0/s1InChIKey
IFCCIXNUNRNEOZ-DTBOBFTMSA-NSynonyms
1435869-10-5~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)1oxo2(oxolan2ylmethyl)spiro(4~(H)isoquinoline31cyclopentane)4carboxamide
1435869105
71755103
InChI=1SC29H41N3O3c3327(30192197173116631325(21)31)262311121224(23)28(34)32(2022108183522)29(26)14451529h12111221222526H3101320H2(H3033)t2122?25+26?m0s1
N(((1S9aR)octahydro1Hquinolizin1yl)methyl)1oxo2((tetrahydrofuran2yl)methyl)24dihydro1Hspiro(cyclopentane13isoquinoline)4carboxamide
N((1S9aR)octahydro2Hquinolizin1ylmethyl)1oxo2(tetrahydrofuran2ylmethyl)14dihydro2Hspiro(cyclopentane13isoquinoline)4carboxamide
O=C(C1c2ccccc2C(=O)N(C21CCCC2)CC1CCCO1)NC(C@@H)1CCCN2(C@@H)1CCCC2
ZINC000085878794
ZINC000085878810
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