Vitas-M small molecule compound
(5E)-5-[(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL372417
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)C2CC2)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 C20H18FN3O2S MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O2S/c1-11-9-13(12(2)23(11)15-7-8-15)10-17-18(25)22-20(27)24(19(17)26)16-5-3-14(21)4-6-16/h3-6,9-10,15H,7-8H2,1-2H3,(H,22,25,27)/b17-10+InChIKey
ZWMZOKIJCJDYLW-LICLKQGHSA-NSynonyms
(5E)5((1cyclopropyl25dimethyl1Hpyrrol3yl)methylidene)1(4fluorophenyl)2thioxodihydropyrimidine46(1H5H)dione
(5E)5((1CYCLOPROPYL25DIMETHYLPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)C2CC2)C)C1=O
InChI=1SC20H18FN3O2Sc111913(12(2)23(11)157815)101718(25)2220(27)24(19(17)26)165314(21)4616h3691015H78H212H3(H222527)b1710+
MFCD03711198
ZINC000001161101
ZINC01161101
ZINC1161101
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