Vitas-M small molecule compound

(5Z)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL484671
SMILES COc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccccc2)cc(c1O)[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 C18H13N3O6S MW 399.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O6S/c1-27-14-9-10(8-13(15(14)22)21(25)26)7-12-16(23)19-18(28)20(17(12)24)11-5-3-2-4-6-11/h2-9,22H,1H3,(H,19,23,28)/b12-7-
InChIKey
GJOLGIMTAZPFKA-GHXNOFRVSA-N
Synonyms

(5Z)5((4hydroxy3methoxy5nitrophenyl)methylidene)1phenyl2sulfanylidene13diazinane46dione
(5Z)5(4hydroxy3methoxy5nitrobenzylidene)1phenyl2thioxodihydropyrimidine46(1H5H)dione
COC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3
COc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2)cc(c1O)(N+)(=O)(O)
InChI=1SC18H13N3O6Sc12714910(813(15(14)22)21(25)26)71216(23)1918(28)20(17(12)24)115324611h2922H1H3(H192328)b127
MFCD30713650
ZINC000034184765
ZINC34184765

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Available files

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