Vitas-M small molecule compound
4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 3-nitrobenzoate
Catalog ID
STL382745
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1cccc(c1)[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/c24-17-6-9-20(21(12-17)28(33)34)26-22(29)16(13-25)10-14-4-7-19(8-5-14)35-23(30)15-2-1-3-18(11-15)27(31)32/h1-12H,(H,26,29)/b16-10+InChIKey
KSRHLHWUHYYCJT-MHWRWJLKSA-NSynonyms
(4((E)3(4CHLORO2NITROANILINO)2CYANO3OXOPROP1ENYL)PHENYL)3NITROBENZOATE
4((1E)2(N(4CHLORO2NITROPHENYL)CARBAMOYL)2CYANOVINYL)PHENYL3NITROBENZOATE
4((1E)3((4chloro2nitrophenyl)amino)2cyano3oxoprop1en1yl)phenyl3nitrobenzoate
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC23H13ClN4O7c24176920(21(1217)28(33)34)2622(29)16(1325)10144719(8514)3523(30)1521318(1115)27(31)32h112H(H2629)b1610+
MFCD02225154
N#CC(=Cc1ccc(cc1)OC(=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1(N+)(=O)(O))Cl
ZINC000013388003
ZINC13388003
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