Vitas-M small molecule compound
(2E)-3-[2-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
Catalog ID
STK472882
SMILES CCOc1cc(/C=C(/C(=O)Nc2cc(ccc2Cl)[N+](=O)[O-])\C#N)c(cc1OC(C)C)Br
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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 C21H19BrClN3O5 MW 508.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrClN3O5/c1-4-30-19-8-13(16(22)10-20(19)31-12(2)3)7-14(11-24)21(27)25-18-9-15(26(28)29)5-6-17(18)23/h5-10,12H,4H2,1-3H3,(H,25,27)/b14-7+InChIKey
XKIMRCRJIYANSJ-VGOFMYFVSA-NSynonyms
(2E)3(2BROMO5ETHOXY4(METHYLETHOXY)PHENYL)N(2CHLORO5NITROPHENYL)2CYANOPROP2ENAMIDE
(2E)3(2bromo5ethoxy4(propan2yloxy)phenyl)N(2chloro5nitrophenyl)2cyanoprop2enamide
(E)3(2bromo5ethoxy4propan2yloxyphenyl)N(2chloro5nitrophenyl)2cyanoprop2enamide
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))Cl)Br)OC(C)C
CCOc1cc(C=C(C(=O)Nc2cc(ccc2Cl)(N+)(=O)(O))C#N)c(cc1OC(C)C)Br
InChI=1SC21H19BrClN3O5c143019813(16(22)1020(19)3112(2)3)714(1124)21(27)2518915(26(28)29)5617(18)23h51012H4H213H3(H2527)b147+
MFCD07091973
ZINC000020175487
ZINC20175487
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