Vitas-M small molecule compound
ethyl 1',3-bis[2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H,1'H-2,2'-biimidazole-1-carboxylate
Catalog ID
STK664880
SMILES CCOC(=O)N1C=CN(C1c1nccn1c1ccc(cc1[N+](=O)[O-])C(F)(F)F)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C23H16F6N6O6 MW 586.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F6N6O6/c1-2-41-21(36)33-10-9-32(16-6-4-14(23(27,28)29)12-18(16)35(39)40)20(33)19-30-7-8-31(19)15-5-3-13(22(24,25)26)11-17(15)34(37)38/h3-12,20H,2H2,1H3InChIKey
CCPUPIGBQAXHQQ-UHFFFAOYSA-NSynonyms
CCOC(=O)N1C=CN(C1c1nccn1c1ccc(cc1(N+)(=O)(O))C(F)(F)F)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
CCOC(=O)N1C=CN(C1C2=NC=CN2C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
ethyl13bis(2nitro4(trifluoromethyl)phenyl)23dihydro1H1H22biimidazole1carboxylate
ETHYL3(2NITRO4(TRIFLUOROMETHYL)PHENYL)2(1(2NITRO4(TRIFLUOROMETHYL)PHENYL)IMIDAZOL2YL)2HIMIDAZOLE1CARBOXYLATE
InChI=1SC23H16F6N6O6c124121(36)3310932(166414(23(2728)29)1218(16)35(39)40)20(33)19307831(19)155313(22(2425)26)1117(15)34(37)38h31220H2H21H3
MFCD07658206
ZINC000100217447
ZINC000100217449
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