Vitas-M small molecule compound
ethyl 4-{2,5-diphenyl-3-[(2,4,6-trioxo-1,3-diphenyltetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK177188
SMILES CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C/1\C(=O)N(c2ccccc2)C(=O)N(C1=O)c1ccccc1
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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 C42H31N3O5 MW 657.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H31N3O5/c1-2-50-41(48)31-23-25-35(26-24-31)43-37(29-15-7-3-8-16-29)28-32(38(43)30-17-9-4-10-18-30)27-36-39(46)44(33-19-11-5-12-20-33)42(49)45(40(36)47)34-21-13-6-14-22-34/h3-28H,2H2,1H3InChIKey
MZIXDEVZGAXSBO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=O)N(C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C1C(=O)N(c2ccccc2)C(=O)N(C1=O)c1ccccc1
ethyl4(25diphenyl3((246trioxo13diphenyl13diazinan5ylidene)methyl)pyrrol1yl)benzoate
ETHYL4(25DIPHENYL3((246TRIOXO13DIPHENYLTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
InChI=1SC42H31N3O5c125041(48)31232535(262431)4337(29157381629)2832(38(43)301794101830)273639(46)44(3319115122033)42(49)45(40(36)47)3421136142234h328H2H21H3
MFCD02194757
ZINC000150343129
ZINC150343129
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.