Vitas-M small molecule compound
(5Z)-3-(4-chlorophenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxoimidazolidin-4-one
Catalog ID
STL369079
SMILES Clc1ccc(cc1)N1C(=S)N/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/C1=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 C20H12ClN3O4S MW 425.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12ClN3O4S/c21-12-5-7-13(8-6-12)23-19(25)16(22-20(23)29)11-14-9-10-18(28-14)15-3-1-2-4-17(15)24(26)27/h1-11H,(H,22,29)/b16-11-InChIKey
XLIBPOUHVPADGF-WJDWOHSUSA-NSynonyms
(5Z)3(4CHLOROPHENYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)3(4chlorophenyl)5((5(2nitrophenyl)furan2yl)methylidene)2thioxoimidazolidin4one
C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)N3)C4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)N1C(=S)NC(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C1=O
InChI=1SC20H12ClN3O4Sc21125713(8612)2319(25)16(2220(23)29)111491018(2814)15312417(15)24(26)27h111H(H2229)b1611
MFCD03138341
ZINC000009295886
ZINC9295886
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