Vitas-M small molecule compound
1-(1,4-dioxaspiro[4.5]dec-2-ylmethyl)-1-[4-(methoxycarbonyl)benzyl]pyrrolidinium
Catalog ID
STK010398
SMILES COC(=O)c1ccc(cc1)C[N+]1(CCCC1)CC1COC2(O1)CCCCC2
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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 C22H32NO4 MW 374.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32NO4/c1-25-21(24)19-9-7-18(8-10-19)15-23(13-5-6-14-23)16-20-17-26-22(27-20)11-3-2-4-12-22/h7-10,20H,2-6,11-17H2,1H3/q+1InChIKey
ADOYJUZVHCBHKD-UHFFFAOYSA-NSynonyms
1(14DIOXASPIRO(45)DEC2YLMETHYL)1(4(METHOXYCARBONYL)BENZYL)PYRROLIDINIUM
1(14dioxaspiro(45)decan2ylmethyl)1(4(methoxycarbonyl)benzyl)pyrrolidin1iumbromide
COC(=O)C1=CC=C(C=C1)C(N+)2(CCCC2)CC3COC4(O3)CCCCC4
COC(=O)c1ccc(cc1)C(N+)1(CCCC1)CC1COC2(O1)CCCCC2
COC(=O)c1ccc(cc1)C(N+)1(CCCC1)CC1COC2(O1)CCCCC2(Br)
InChI=1SC22H32NO4c12521(24)199718(81019)1523(13561423)1620172622(2720)113241222h71020H261117H21H3q+1
METHYL4((((14DIOXASPIRO(45)DEC2YL)METHYL)PYRROLIDINYL)METHYL)BENZOATE
METHYL4((1(14DIOXASPIRO(45)DECAN3YLMETHYL)PYRROLIDIN1IUM1YL)METHYL)BENZOATE
MFCD03110993
STK010398
ZINC000000778754
ZINC000004318426
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