Vitas-M small molecule compound
(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK056711
SMILES CN1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cc(ccc2Cl)[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 C16H10ClN3O5S MW 391.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClN3O5S/c1-19-15(22)11(14(21)18-16(19)26)7-9-3-5-13(25-9)10-6-8(20(23)24)2-4-12(10)17/h2-7H,1H3,(H,18,21,26)/b11-7+InChIKey
KKLUIMQZXZMLGL-YRNVUSSQSA-NSynonyms
(5E)5((5(2chloro5nitrophenyl)furan2yl)methylidene)1methyl2sulfanylidene13diazinane46dione
(5E)5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)NC1=S
CN1C(=S)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)(N+)(=O)(O))C1=O
InChI=1SC16H10ClN3O5Sc11915(22)11(14(21)1816(19)26)793513(259)1068(20(23)24)2412(10)17h27H1H3(H182126)b117+
MFCD03226783
STK056711
ZINC000005879175
ZINC5879175
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