Vitas-M small molecule compound
1,3-dimethyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190102
SMILES S=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])C)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 C18H15N3O5S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5S/c1-10-4-5-11(8-14(10)21(24)25)15-7-6-12(26-15)9-13-16(22)19(2)18(27)20(3)17(13)23/h4-9H,1-3H3InChIKey
WUFOMZVBKCPLQB-UHFFFAOYSA-NSynonyms
13DIMETHYL5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIMETHYL5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)N(C3=O)C)C)(N+)(=O)(O)
InChI=1SC18H15N3O5Sc1104511(814(10)21(24)25)157612(2615)91316(22)19(2)18(27)20(3)17(13)23h49H13H3
MFCD02638047
S=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))C)C(=O)N1C
ZINC000001186843
ZINC01186843
ZINC1186843
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