Vitas-M small molecule compound
1,3-dimethyl-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187952
SMILES CN1C(=S)N(C)C(=O)C(=Cc2ccc(o2)c2ccc(cc2C)[N+](=O)[O-])C1=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 C18H15N3O5S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5S/c1-10-8-11(21(24)25)4-6-13(10)15-7-5-12(26-15)9-14-16(22)19(2)18(27)20(3)17(14)23/h4-9H,1-3H3InChIKey
TWHCWMTXAYMQOL-UHFFFAOYSA-NSynonyms
420832-56-013DIMETHYL5((5(2METHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIMETHYL5((5(2METHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
420832560
CC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)N(C(=S)N(C3=O)C)C
CN1C(=S)N(C)C(=O)C(=Cc2ccc(o2)c2ccc(cc2C)(N+)(=O)(O))C1=O
InChI=1SC18H15N3O5Sc110811(21(24)25)4613(10)157512(2615)91416(22)19(2)18(27)20(3)17(14)23h49H13H3
MFCD02608571
ZINC000001184264
ZINC01184264
ZINC1184264
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