Vitas-M small molecule compound
(5E)-5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197681
SMILES Clc1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C/1\C(=O)N(c2ccccc2)C(=S)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 C41H30ClN3O2S MW 664.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H30ClN3O2S/c1-27-18-21-35(24-28(27)2)45-40(47)36(39(46)44(41(45)48)33-16-10-5-11-17-33)25-31-26-37(29-12-6-3-7-13-29)43(34-22-19-32(42)20-23-34)38(31)30-14-8-4-9-15-30/h3-26H,1-2H3/b36-25+InChIKey
DHKBUMFBNWOQQG-YRRMYEEHSA-NSynonyms
(5E)5((1(4CHLOROPHENYL)25DIPHENYL1HPYRROL3YL)METHYLIDENE)1(34DIMETHYLPHENYL)3PHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4chlorophenyl)25diphenylpyrrol3yl)methylidene)1(34dimethylphenyl)3phenyl2sulfanylidene13diazinane46dione
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C6=CC=CC=C6)C(=O)N(C2=S)C7=CC=CC=C7)C
Clc1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC41H30ClN3O2Sc127182135(2428(27)2)4540(47)36(39(46)44(41(45)48)3316105111733)25312637(29126371329)43(34221932(42)202334)38(31)30148491530h326H12H3b3625+
MFCD02378836
ZINC000097961008
ZINC97961008
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.