Vitas-M small molecule compound
(5Z)-1-(2,5-dimethoxyphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL051166
SMILES COc1ccc(c(c1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)F)C)/C1=O)S)OC
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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 C25H22FN3O4S MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O4S/c1-14-11-16(15(2)28(14)18-7-5-17(26)6-8-18)12-20-23(30)27-25(34)29(24(20)31)21-13-19(32-3)9-10-22(21)33-4/h5-13H,1-4H3,(H,27,30,34)/b20-12-InChIKey
BUJSAMFUZQZADQ-NDENLUEZSA-NSynonyms
714289-48-2(5Z)1(25dimethoxyphenyl)5((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1(25DIMETHOXYPHENYL)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
714289482
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=CC(=C4)OC)OC
COc1ccc(c(c1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)F)C)C1=O)S)OC
InChI=1SC25H22FN3O4Sc1141116(15(2)28(14)187517(26)6818)122023(30)2725(34)29(24(20)31)211319(323)91022(21)334h513H14H3(H273034)b2012
MFCD05730086
ZINC000002234263
ZINC2234263
Check stock
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Check stock on Vitas-MAvailable files
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