Vitas-M small molecule compound
(5E)-5-{[1-(biphenyl-4-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK039207
SMILES S=C1N(c2ccccc2)C(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)c2ccccc2)C)/C(=O)N1c1ccc(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 C37H31N3O2S MW 581.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31N3O2S/c1-24-15-18-33(21-25(24)2)40-36(42)34(35(41)39(37(40)43)31-13-9-6-10-14-31)23-30-22-26(3)38(27(30)4)32-19-16-29(17-20-32)28-11-7-5-8-12-28/h5-23H,1-4H3/b34-23+InChIKey
JAQDSBUJBFCHTE-PPFNPFNJSA-NSynonyms
(5E)1(34DIMETHYLPHENYL)5((25DIMETHYL1(4PHENYLPHENYL)PYRROL3YL)METHYLIDENE)3PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((1(BIPHENYL4YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(34DIMETHYLPHENYL)3PHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C5=CC=CC=C5)C)C(=O)N(C2=S)C6=CC=CC=C6)C
InChI=1SC37H31N3O2Sc124151833(2125(24)2)4036(42)34(35(41)39(37(40)43)311396101431)23302226(3)38(27(30)4)32191629(172032)28117581228h523H14H3b3423+
MFCD01126152
S=C1N(c2ccccc2)C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)c2ccccc2)C)C(=O)N1c1ccc(c(c1)C)C
STK039207
ZINC000006280374
ZINC6280374
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.