Vitas-M small molecule compound
(5Z)-1-methyl-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK008995
SMILES CN1C(=S)NC(=O)/C(=C/c2ccc(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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c1-9-7-10(20(23)24)3-5-12(9)14-6-4-11(25-14)8-13-15(21)18-17(26)19(2)16(13)22/h3-8H,1-2H3,(H,18,21,26)/b13-8-InChIKey
DKUHBSWWANYKIY-JYRVWZFOSA-NSynonyms
(5Z)1METHYL5((5(2METHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1METHYL5((5(2METHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C
CN1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2C)(N+)(=O)(O))C1=O
InChI=1SC17H13N3O5Sc19710(20(23)24)3512(9)146411(2514)81315(21)1817(26)19(2)16(13)22h38H12H3(H182126)b138
MFCD08049317
STK008995
ZINC000004550935
ZINC4550935
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