Vitas-M small molecule compound
ethyl (2Z)-10-methyl-2-{[(3E,5Z)-3-methyl-4-nitroocta-3,5,7-trienoyl]imino}-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Catalog ID
STK872563
SMILES CCOC(=O)c1cc2c(n(/c/1=N\C(=O)C/C(=C(/[N+](=O)[O-])\C=C/C=C)/C)CC1CCCO1)nc1n(c2=O)cccc1C
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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 C29H31N5O7 MW 561.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O7/c1-5-7-12-23(34(38)39)19(4)15-24(35)30-27-22(29(37)40-6-2)16-21-26(33(27)17-20-11-9-14-41-20)31-25-18(3)10-8-13-32(25)28(21)36/h5,7-8,10,12-13,16,20H,1,6,9,11,14-15,17H2,2-4H3/b12-7-,23-19+,30-27-InChIKey
CTJVMOBZYZQZEB-UXCJAKSBSA-NSynonyms
CCOC(=O)c1cc2c(n(c1=NC(=O)CC(=C((N+)(=O)(O))C=CC=C)C)CC1CCCO1)nc1n(c2=O)cccc1C
ethyl(2Z)10methyl2(((3E5Z)3methyl4nitroocta357trienoyl)imino)5oxo1(tetrahydrofuran2ylmethyl)15dihydro2Hdipyrido(12a23d)pyrimidine3carboxylate
ZINC000102811229
ZINC000102811232
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