Vitas-M small molecule compound
ethyl 4-(3-{(Z)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK187873
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2c2ccccc2)c2ccc(cc2)C(=O)OCC)c2ccccc2)/C1=O
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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 C38H31N3O5S MW 641.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H31N3O5S/c1-3-45-31-17-11-16-30(24-31)41-36(43)32(35(42)39-38(41)47)22-28-23-33(25-12-7-5-8-13-25)40(34(28)26-14-9-6-10-15-26)29-20-18-27(19-21-29)37(44)46-4-2/h5-24H,3-4H2,1-2H3,(H,39,42,47)/b32-22-InChIKey
QQOLCOFIXZEJFE-JDCMOKTRSA-NSynonyms
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OCC)C6=CC=CC=C6)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2c2ccccc2)c2ccc(cc2)C(=O)OCC)c2ccccc2)C1=O
ethyl4(3((Z)(1(3ethoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25diphenylpyrrol1yl)benzoate
ETHYL4(3((Z)(1(3ETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIPHENYL1HPYRROL1YL)BENZOATE
InChI=1SC38H31N3O5Sc13453117111630(2431)4136(43)32(35(42)3938(41)47)22282333(25127581325)40(34(28)261496101526)29201827(192129)37(44)4642h524H34H212H3(H394247)b3222
MFCD02085221
ZINC000033358403
ZINC33358403
Check stock
See real-time availability and sample size for STK187873 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.