Vitas-M small molecule compound
3-{5-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid
Catalog ID
STK095160
SMILES CN1C(=S)N(C)C(=O)C(=Cc2ccc(o2)c2cccc(c2C)C(=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 C19H16N2O5S MW 384.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O5S/c1-10-12(5-4-6-13(10)18(24)25)15-8-7-11(26-15)9-14-16(22)20(2)19(27)21(3)17(14)23/h4-9H,1-3H3,(H,24,25)InChIKey
PKKCDQXMYRUVAW-UHFFFAOYSA-NSynonyms
3(5((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)2METHYLBENZOICACID
3(5((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)2METHYLBENZOICACID
CC1=C(C=CC=C1C(=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)c2cccc(c2C)C(=O)O)C1=O
InChI=1SC19H16N2O5Sc11012(54613(10)18(24)25)158711(2615)91416(22)20(2)19(27)21(3)17(14)23h49H13H3(H2425)
MFCD02779790
STK095160
ZINC000004676059
ZINC4676059
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