Vitas-M small molecule compound
6-{(Z)-2-[4-(butan-2-yloxy)-3-ethoxyphenyl]ethenyl}-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK287059
SMILES CCOc1cc(ccc1OC(CC)C)/C=C\c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
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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 C18H21N3O6 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O6/c1-4-11(3)27-14-9-7-12(10-15(14)26-5-2)6-8-13-16(21(24)25)17(22)20-18(23)19-13/h6-11H,4-5H2,1-3H3,(H2,19,20,22,23)/b8-6-InChIKey
DSADXIMEVUBUNH-VURMDHGXSA-NSynonyms
6((Z)2(4(butan2yloxy)3ethoxyphenyl)ethenyl)5nitropyrimidine24(1H3H)dione
6((Z)2(4BUTAN2YLOXY3ETHOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6(2(4SECBUTOXY3ETHOXYPHENYL)VINYL)5NITRO24(1H3H)PYRIMIDINEDIONE
CCC(C)OC1=C(C=C(C=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))OCC
CCOc1cc(ccc1OC(CC)C)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O)
InChI=1SC18H21N3O6c1411(3)27149712(1015(14)2652)681316(21(24)25)17(22)2018(23)1913h611H45H213H3(H219202223)b86
MFCD04389135
ZINC000013468246
ZINC000013468248
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