Vitas-M small molecule compound
2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl {[4-(trifluoromethyl)phenyl]carbonyl}carbamate
Catalog ID
STK777631
SMILES O=C(NC(=O)c1ccc(cc1)C(F)(F)F)OCCn1c(C)cnc1[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 C15H13F3N4O5 MW 386.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13F3N4O5/c1-9-8-19-13(22(25)26)21(9)6-7-27-14(24)20-12(23)10-2-4-11(5-3-10)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,20,23,24)InChIKey
BNBSLRROPHJDDK-UHFFFAOYSA-NSynonyms
2(5methyl2nitro1Himidazol1yl)ethyl((4(trifluoromethyl)phenyl)carbonyl)carbamate
2(5METHYL2NITRO1HIMIDAZOL1YL)ETHYL4(TRIFLUOROMETHYL)BENZOYLCARBAMATE
2(5METHYL2NITROIMIDAZOL1YL)ETHYLN(4(TRIFLUOROMETHYL)BENZOYL)CARBAMATE
CC1=CN=C(N1CCOC(=O)NC(=O)C2=CC=C(C=C2)C(F)(F)F)(N+)(=O)(O)
InChI=1SC15H13F3N4O5c1981913(22(25)26)21(9)672714(24)2012(23)102411(5310)15(1617)18h258H67H21H3(H202324)
MFCD05854759
O=C(NC(=O)c1ccc(cc1)C(F)(F)F)OCCn1c(C)cnc1(N+)(=O)(O)
ZINC000001425575
ZINC01425575
ZINC1425575
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