Vitas-M small molecule compound
(5Z)-1-(4-fluorophenyl)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL055414
SMILES COCCn1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)F)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 C20H20FN3O3S MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O3S/c1-12-10-14(13(2)23(12)8-9-27-3)11-17-18(25)22-20(28)24(19(17)26)16-6-4-15(21)5-7-16/h4-7,10-11H,8-9H2,1-3H3,(H,22,25,28)/b17-11-InChIKey
FGIXDPDMWOAIOZ-BOPFTXTBSA-NSynonyms
578697-12-8(5Z)1(4fluorophenyl)5((1(2methoxyethyl)25dimethyl1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1(4FLUOROPHENYL)5((1(2METHOXYETHYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
578697128
COCCn1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)F)S
InChI=1SC20H20FN3O3Sc1121014(13(2)23(12)89273)111718(25)2220(28)24(19(17)26)166415(21)5716h471011H89H213H3(H222528)b1711
MFCD05728590
ZINC000001823995
ZINC01823995
ZINC13749941
ZINC1823995
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