Vitas-M small molecule compound

methyl 4-[(E)-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-ylidene)methyl]benzoate

Catalog ID
STK698591
SMILES COC(=O)c1ccc(cc1)/C=C\1/NC(=S)N(C1=O)c1ccccc1

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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 C18H14N2O3S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O3S/c1-23-17(22)13-9-7-12(8-10-13)11-15-16(21)20(18(24)19-15)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,24)/b15-11+
InChIKey
LOHZXQIDMYRCMA-RVDMUPIBSA-N
Synonyms

(Z)methyl4((5oxo1phenyl2thioxoimidazolidin4ylidene)methyl)benzoate
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)C3=CC=CC=C3
COC(=O)c1ccc(cc1)C=C1NC(=S)N(C1=O)c1ccccc1
InChI=1SC18H14N2O3Sc12317(22)139712(81013)111516(21)20(18(24)1915)145324614h211H1H3(H1924)b1511+
METHYL4((E)(5OXO1PHENYL2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)BENZOATE
methyl4((E)(5oxo1phenyl2thioxoimidazolidin4ylidene)methyl)benzoate
MFCD07044047
ZINC000000520827
ZINC00520827
ZINC520827

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Available files

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