Vitas-M small molecule compound
methyl 4-(5-{(E)-[1-(3,5-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoate
Catalog ID
STK038819
SMILES COC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)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 C26H22N2O5S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5S/c1-14-9-15(2)11-18(10-14)28-24(30)21(23(29)27-26(28)34)13-19-6-8-22(33-19)20-7-5-17(12-16(20)3)25(31)32-4/h5-13H,1-4H3,(H,27,29,34)/b21-13+InChIKey
IWNIHMIPYZJVBX-FYJGNVAPSA-NSynonyms
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)C(=O)OC)C)C(=O)NC2=S)C
COC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC26H22N2O5Sc114915(2)1118(1014)2824(30)21(23(29)2726(28)34)13196822(3319)207517(1216(20)3)25(31)324h513H14H3(H272934)b2113+
METHYL4(5((E)(1(35DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)3METHYLBENZOATE
METHYL4(5((E)(1(35DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)3METHYLBENZOATE
MFCD03554215
STK038819
ZINC000013942265
ZINC13942265
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