Vitas-M small molecule compound

3-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)propyl]imidazolidine-2,4-dione

Catalog ID
STL476057
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)CCC1NC(=O)N(C1=O)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 C25H26N4O6 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O6/c30-22(27-10-16-8-17(13-27)19-2-1-3-23(31)28(19)12-16)7-5-18-24(32)29(25(33)26-18)11-15-4-6-20-21(9-15)35-14-34-20/h1-4,6,9,16-18H,5,7-8,10-14H2,(H,26,33)
InChIKey
IYFLSQKRTNUGJH-UHFFFAOYSA-N
Synonyms

(S)3(benzo(d)(13)dioxol5ylmethyl)5(3oxo3((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propyl)imidazolidine24dione
3(13benzodioxol5ylmethyl)5(3oxo3(8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propyl)imidazolidine24dione
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)CCC4C(=O)N(C(=O)N4)CC5=CC6=C(C=C5)OCO6
InChI=1SC25H26N4O6c3022(271016817(1327)1921323(31)28(19)1216)751824(32)29(25(33)2618)1115462021(915)35143420h14691618H5781014H2(H2633)
MFCD31751311
O=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)CC(C@@H)1NC(=O)N(C1=O)Cc1ccc2c(c1)OCO2
ZINC000036576359
ZINC000043746975

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Available files

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