Vitas-M small molecule compound
(5E)-1-(2,5-dimethylphenyl)-5-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK115584
SMILES Oc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)ccc1C
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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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-14-5-6-15(2)22(11-14)28-24(31)21(23(30)26-25(28)32)13-18-12-16(3)27(17(18)4)19-7-9-20(29)10-8-19/h5-13,29H,1-4H3,(H,26,30,32)/b21-13+InChIKey
FVTNCVJVFFNCGZ-FYJGNVAPSA-NSynonyms
(5E)1(25DIMETHYLPHENYL)5((1(4HYDROXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(25DIMETHYLPHENYL)5((1(4HYDROXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)O)C)C(=O)NC2=S
InChI=1SC25H23N3O3Sc1145615(2)22(1114)2824(31)21(23(30)2625(28)32)13181216(3)27(17(18)4)197920(29)10819h51329H14H3(H263032)b2113+
MFCD05149550
Oc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cc(C)ccc1C
ZINC000009805839
ZINC09805839
ZINC9805839
Check stock
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Check stock on Vitas-MAvailable files
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