Vitas-M small molecule compound
1,3-dimethyl-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187953
SMILES S=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccccc2[N+](=O)[O-])C(=O)N1C
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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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c1-18-15(21)12(16(22)19(2)17(18)26)9-10-7-8-14(25-10)11-5-3-4-6-13(11)20(23)24/h3-9H,1-2H3InChIKey
WEPIQAMLNFRLII-UHFFFAOYSA-NSynonyms
420832-53-713DIMETHYL5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIMETHYL5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
420832537
CN1C(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3(N+)(=O)(O))C(=O)N(C1=S)C
InChI=1SC17H13N3O5Sc11815(21)12(16(22)19(2)17(18)26)9107814(2510)11534613(11)20(23)24h39H12H3
MFCD02609065
S=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C(=O)N1C
ZINC000001180231
ZINC01180231
ZINC1180231
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