Vitas-M small molecule compound
methyl 3-(3-{(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoate
Catalog ID
STK187732
SMILES COC(=O)c1cccc(c1C)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)F
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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 C26H22FN3O4S MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN3O4S/c1-14-11-17(16(3)29(14)22-10-6-9-20(15(22)2)25(33)34-4)12-21-23(31)28-26(35)30(24(21)32)19-8-5-7-18(27)13-19/h5-13H,1-4H3,(H,28,31,35)/b21-12+InChIKey
OMCNSPLDROAWKJ-CIAFOILYSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F
COC(=O)c1cccc(c1C)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F
InChI=1SC26H22FN3O4Sc1141117(16(3)29(14)22106920(15(22)2)25(33)344)122123(31)2826(35)30(24(21)32)1985718(27)1319h513H14H3(H283135)b2112+
METHYL3(3((1(3FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
METHYL3(3((E)(1(3FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOATE
METHYL3(3((E)(1(3FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
MFCD03697041
ZINC000000661167
ZINC00661167
ZINC661167
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.