Vitas-M small molecule compound
5-(4-chlorobenzyl)-1,3-dimethyl-5-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL526835
SMILES Clc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
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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 C25H27ClN4O4 MW 482.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN4O4/c1-27-22(32)25(23(33)28(2)24(27)34,11-16-6-8-19(26)9-7-16)15-29-12-17-10-18(14-29)20-4-3-5-21(31)30(20)13-17/h3-9,17-18H,10-15H2,1-2H3/t17-,18+/m0/s1InChIKey
HDYYRAUQQZSBHN-ZWKOTPCHSA-NSynonyms
16397450
5((4chlorophenyl)methyl)13dimethyl5(((1~(R)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)13diazinane246trione
5(4chlorobenzyl)13dimethyl5(((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
5(4chlorobenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
Clc1ccc(cc1)CC1(CN2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC25H27ClN4O4c12722(32)25(23(33)28(2)24(27)3411166819(26)9716)152912171018(1429)2043521(31)30(20)1317h391718H1015H212H3t1718+m0s1
MFCD03006032
ZINC000020112718
ZINC20112718
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