Vitas-M small molecule compound
5-(1,3-benzodioxol-5-ylmethyl)-1,3-dimethyl-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
STK038844
SMILES O=C1N(C)C(=O)C(C(=O)N1C)(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 C26H28N4O6 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O6/c1-27-23(32)26(24(33)28(2)25(27)34,10-16-6-7-20-21(9-16)36-15-35-20)14-29-11-17-8-18(13-29)19-4-3-5-22(31)30(19)12-17/h3-7,9,17-18H,8,10-15H2,1-2H3/t17-,18+/m0/s1InChIKey
WQFNWYOGGGSASB-ZWKOTPCHSA-NSynonyms
5(13benzodioxol5ylmethyl)13dimethyl5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
5(benzo(d)(13)dioxol5ylmethyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
CN1C(=O)C(C(=O)N(C1=O)C)(CC2=CC3=C(C=C2)OCO3)CN4CC5CC(C4)C6=CC=CC(=O)N6C5
InChI=1SC26H28N4O6c12723(32)26(24(33)28(2)25(27)341016672021(916)36153520)14291117818(1329)1943522(31)30(19)1217h3791718H81015H212H3t1718+m1s1
MFCD01543844
O=C1N(C)C(=O)C(C(=O)N1C)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2
STK038844
ZINC000019702945
ZINC19702945
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.