Vitas-M small molecule compound
ethyl 4-(3-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK170513
SMILES CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)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 C38H31N3O5 MW 609.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H31N3O5/c1-4-46-37(44)28-16-19-30(20-17-28)40-33(26-11-7-5-8-12-26)23-29(34(40)27-13-9-6-10-14-27)22-32-35(42)39-38(45)41(36(32)43)31-18-15-24(2)25(3)21-31/h5-23H,4H2,1-3H3,(H,39,42,45)/b32-22+InChIKey
FDMLXFYGTMVSNW-WEMUVCOSSA-NSynonyms
760196-39-2760196392
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=O)NC(=O)N(C4=O)C5=CC(=C(C=C5)C)C)C6=CC=CC=C6
CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C
ethyl4(3((E)(1(34dimethylphenyl)246trioxo13diazinan5ylidene)methyl)25diphenylpyrrol1yl)benzoate
ETHYL4(3((E)(1(34DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIPHENYL1HPYRROL1YL)BENZOATE
InChI=1SC38H31N3O5c144637(44)28161930(201728)4033(26117581226)2329(34(40)271396101427)223235(42)3938(45)41(36(32)43)31181524(2)25(3)2131h523H4H213H3(H394245)b3222+
MFCD02611699
ZINC000100222804
ZINC100222804
Check stock
See real-time availability and sample size for STK170513 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.