Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(2-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192825
SMILES CCc1ccccc1N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C)C)/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 C26H25N3O2S MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O2S/c1-5-19-8-6-7-9-23(19)29-25(31)22(24(30)27-26(29)32)15-20-14-17(3)28(18(20)4)21-12-10-16(2)11-13-21/h6-15H,5H2,1-4H3,(H,27,30,32)/b22-15+InChIKey
WSMXKTXSMBTCDC-PXLXIMEGSA-NSynonyms
(5E)5((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)1(2ETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)1(2ETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLENE)1(2ETHYLPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CCC1=CC=CC=C1N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C)C)C(=O)NC2=S
CCc1ccccc1N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O
InChI=1SC26H25N3O2Sc1519867923(19)2925(31)22(24(30)2726(29)32)15201417(3)28(18(20)4)21121016(2)111321h615H5H214H3(H273032)b2215+
MFCD02945776
ZINC000000654618
ZINC00654618
ZINC654618
Check stock
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Check stock on Vitas-MAvailable files
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