Vitas-M small molecule compound
methyl 3-({4-chloro-5-[(E)-{2-[(4-nitrophenyl)carbonyl]hydrazinylidene}methyl]-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoate
Catalog ID
STL054526
SMILES COC(=O)c1cccc(c1)Cn1c(=O)sc(c1Cl)/C=N/NC(=O)c1ccc(cc1)[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 C20H15ClN4O6S MW 474.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O6S/c1-31-19(27)14-4-2-3-12(9-14)11-24-17(21)16(32-20(24)28)10-22-23-18(26)13-5-7-15(8-6-13)25(29)30/h2-10H,11H2,1H3,(H,23,26)/b22-10+InChIKey
ZWMHPKTVYMQODL-LSHDLFTRSA-NSynonyms
609790-70-7(E)methyl3((4chloro5((2(4nitrobenzoyl)hydrazono)methyl)2oxothiazol3(2H)yl)methyl)benzoate
609790707
COC(=O)C1=CC(=CC=C1)CN2C(=C(SC2=O)C=NNC(=O)C3=CC=C(C=C3)(N+)(=O)(O))Cl
COC(=O)c1cccc(c1)Cn1c(=O)sc(c1Cl)C=NNC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H15ClN4O6Sc13119(27)1442312(914)112417(21)16(3220(24)28)10222318(26)135715(8613)25(29)30h210H11H21H3(H2326)b2210+
METHYL3((4CHLORO5((E)((4NITROBENZOYL)HYDRAZINYLIDENE)METHYL)2OXO13THIAZOL3YL)METHYL)BENZOATE
methyl3((4chloro5((E)(2((4nitrophenyl)carbonyl)hydrazinylidene)methyl)2oxo13thiazol3(2H)yl)methyl)benzoate
MFCD03676456
ZINC000001900504
ZINC33345887
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