Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(propan-2-yl)-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL049401
SMILES Fc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)C(C)C)C)/C1=O)S
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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 C20H20FN3O2S MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O2S/c1-11(2)23-12(3)9-14(13(23)4)10-17-18(25)22-20(27)24(19(17)26)16-7-5-15(21)6-8-16/h5-11H,1-4H3,(H,22,25,27)/b17-10-InChIKey
PFRLERCKNRZMFC-YVLHZVERSA-NSynonyms
500135-54-6(5Z)5((25dimethyl1(propan2yl)1Hpyrrol3yl)methylidene)1(4fluorophenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((25DIMETHYL1PROPAN2YLPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
500135546
Fc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)C(C)C)C)C1=O)S
InChI=1SC20H20FN3O2Sc111(2)2312(3)914(13(23)4)101718(25)2220(27)24(19(17)26)167515(21)6816h511H14H3(H222527)b1710
MFCD05726764
ZINC000000642268
ZINC00642268
ZINC17207412
ZINC642268
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