Vitas-M small molecule compound
5-(4-ethoxybenzyl)-1,3-dimethyl-5-{[(1S)-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
STK037236
SMILES CCOc1ccc(cc1)CC1(CN2CC3C[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 C27H32N4O5 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O5/c1-4-36-21-10-8-18(9-11-21)13-27(24(33)28(2)26(35)29(3)25(27)34)17-30-14-19-12-20(16-30)22-6-5-7-23(32)31(22)15-19/h5-11,19-20H,4,12-17H2,1-3H3/t19?,20-/m0/s1InChIKey
PWNCOATXLAOFTP-ANYOKISRSA-NSynonyms
1212474-50-41212474504
5(4ethoxybenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
5(4ethoxybenzyl)13dimethyl5(((1S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
CCOC1=CC=C(C=C1)CC2(C(=O)N(C(=O)N(C2=O)C)C)CN3CC4CC(C3)C5=CC=CC(=O)N5C4
CCOc1ccc(cc1)CC1(CN2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
CCOc1ccc(cc1)CC1(CN2CC3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC27H32N4O5c14362110818(91121)1327(24(33)28(2)26(35)29(3)25(27)34)173014191220(1630)2265723(32)31(22)1519h5111920H41217H213H3t19?20m0s1
STK037236
ZINC000020111213
Check stock
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Check stock on Vitas-MAvailable files
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