Vitas-M small molecule compound
5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189990
SMILES COc1ccc(cc1c1ccc(o1)C=C1C(=O)N(C)C(=S)N(C1=O)C)[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 C18H15N3O6S MW 401.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O6S/c1-19-16(22)13(17(23)20(2)18(19)28)9-11-5-7-15(27-11)12-8-10(21(24)25)4-6-14(12)26-3/h4-9H,1-3H3InChIKey
ZLZCAZNRJDDATF-UHFFFAOYSA-NSynonyms
5((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)(N+)(=O)(O))OC)C(=O)N(C1=S)C
COc1ccc(cc1c1ccc(o1)C=C1C(=O)N(C)C(=S)N(C1=O)C)(N+)(=O)(O)
InChI=1SC18H15N3O6Sc11916(22)13(17(23)20(2)18(19)28)9115715(2711)12810(21(24)25)4614(12)263h49H13H3
MFCD02272016
ZINC000001186557
ZINC01186557
ZINC1186557
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