Vitas-M small molecule compound
5-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-5-{[(1S,5R)-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
STL525119
SMILES COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2
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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 C31H30N4O7 MW 570.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O7/c1-40-23-8-6-22(7-9-23)35-29(38)31(28(37)32-30(35)39,13-19-5-10-25-26(12-19)42-18-41-25)17-33-14-20-11-21(16-33)24-3-2-4-27(36)34(24)15-20/h2-10,12,20-21H,11,13-18H2,1H3,(H,32,37,39)/t20-,21+,31?/m0/s1InChIKey
NTWGEIYDHYAVDJ-HHLJYWRRSA-NSynonyms
5(13benzodioxol5ylmethyl)1(4methoxyphenyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
5(benzo(d)(13)dioxol5ylmethyl)1(4methoxyphenyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2
InChI=1SC31H30N4O7c140238622(7923)3529(38)31(28(37)3230(35)3913195102526(1219)42184125)173314201121(1633)2432427(36)34(24)1520h210122021H111318H21H3(H323739)t2021+31?m0s1
MFCD01548368
ZINC000002139171
ZINC000070669782
Check stock
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Check stock on Vitas-MAvailable files
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