Vitas-M small molecule compound
(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Catalog ID
STK753468
SMILES O=C1OC(=N/C/1=C\c1cc2OCOc2cc1Cl)c1ccc(c(c1)[N+](=O)[O-])C
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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 C18H11ClN2O6 MW 386.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11ClN2O6/c1-9-2-3-10(5-14(9)21(23)24)17-20-13(18(22)27-17)4-11-6-15-16(7-12(11)19)26-8-25-15/h2-7H,8H2,1H3/b13-4-InChIKey
CEYUDAIGIAFLLM-PQMHYQBVSA-NSynonyms
(4Z)4((6chloro13benzodioxol5yl)methylidene)2(4methyl3nitrophenyl)13oxazol5(4H)one
(4Z)4((6CHLORO13BENZODIOXOL5YL)METHYLIDENE)2(4METHYL3NITROPHENYL)13OXAZOL5ONE
CC1=C(C=C(C=C1)C2=NC(=CC3=CC4=C(C=C3Cl)OCO4)C(=O)O2)(N+)(=O)(O)
InChI=1SC18H11ClN2O6c192310(514(9)21(23)24)172013(18(22)2717)41161516(712(11)19)2682515h27H8H21H3b134
MFCD00823806
O=C1OC(=NC1=Cc1cc2OCOc2cc1Cl)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000004460243
ZINC04460243
ZINC4460243
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