Vitas-M small molecule compound
4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 2-nitrobenzoate
Catalog ID
STL382743
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-])/C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl
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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 C23H13ClN4O7 MW 492.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13ClN4O7/c24-16-7-10-19(21(12-16)28(33)34)26-22(29)15(13-25)11-14-5-8-17(9-6-14)35-23(30)18-3-1-2-4-20(18)27(31)32/h1-12H,(H,26,29)/b15-11+InChIKey
ZKGFJPLEFVRAOE-RVDMUPIBSA-NSynonyms
(4((E)3(4CHLORO2NITROANILINO)2CYANO3OXOPROP1ENYL)PHENYL)2NITROBENZOATE
4((1E)2(N(4CHLORO2NITROPHENYL)CARBAMOYL)2CYANOVINYL)PHENYL2NITROBENZOATE
4((1E)3((4chloro2nitrophenyl)amino)2cyano3oxoprop1en1yl)phenyl2nitrobenzoate
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)Cl)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC23H13ClN4O7c241671019(21(1216)28(33)34)2622(29)15(1325)11145817(9614)3523(30)18312420(18)27(31)32h112H(H2629)b1511+
MFCD02731698
N#CC(=Cc1ccc(cc1)OC(=O)c1ccccc1(N+)(=O)(O))C(=O)Nc1ccc(cc1(N+)(=O)(O))Cl
ZINC000009057426
ZINC09057426
ZINC9057426
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