Vitas-M small molecule compound
methyl 3-methyl-4-{5-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK055795
SMILES COC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=C/1\C(=O)NC(=S)N(C1=O)C
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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/c1-10-8-11(18(24)25-3)4-6-13(10)15-7-5-12(26-15)9-14-16(22)20-19(27)21(2)17(14)23/h4-9H,1-3H3,(H,20,22,27)/b14-9+InChIKey
XTEOTHKQVHBSQI-NTEUORMPSA-NSynonyms
CC1=C(C=CC(=C1)C(=O)OC)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C
COC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC19H16N2O5Sc110811(18(24)253)4613(10)157512(2615)91416(22)2019(27)21(2)17(14)23h49H13H3(H202227)b149+
METHYL3METHYL4(5((1METHYL46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)BENZOATE
METHYL3METHYL4(5((E)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
METHYL3METHYL4(5((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOATE
MFCD03226980
STK055795
ZINC000000659721
ZINC00659721
ZINC659721
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