Vitas-M small molecule compound
methyl 4-{3-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK096500
SMILES COC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C/1\C(=O)N(c2ccccc2)C(=S)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 C41H29N3O4S MW 659.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H29N3O4S/c1-48-40(47)30-22-24-34(25-23-30)42-36(28-14-6-2-7-15-28)27-31(37(42)29-16-8-3-9-17-29)26-35-38(45)43(32-18-10-4-11-19-32)41(49)44(39(35)46)33-20-12-5-13-21-33/h2-27H,1H3InChIKey
QEALWWZSUGOLLF-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=O)N(C(=S)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
COC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
InChI=1SC41H29N3O4Sc14840(47)30222434(252330)4236(28146271528)2731(37(42)29168391729)263538(45)43(3218104111932)41(49)44(39(35)46)3320125132133h227H1H3
METHYL4(3((46DIOXO13DIPHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIPHENYLPYRROL1YL)BENZOATE
METHYL4(3((46DIOXO13DIPHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIPHENYL1HPYRROL1YL)BENZOATE
MFCD02195012
STK096500
ZINC000150342414
ZINC150342414
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.