Vitas-M small molecule compound
(5Z)-1-cyclopropyl-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK570024
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)C1CC1)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 C20H18FN3O2S MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O2S/c1-11-9-13(12(2)23(11)15-5-3-14(21)4-6-15)10-17-18(25)22-20(27)24(19(17)26)16-7-8-16/h3-6,9-10,16H,7-8H2,1-2H3,(H,22,25,27)/b17-10-InChIKey
SVRUXEPDJZHGFT-YVLHZVERSA-NSynonyms
578001-83-9(5Z)1cyclopropyl5((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1CYCLOPROPYL5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
578001839
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=S)N(C3=O)C4CC4
Fc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)C1CC1)S
InChI=1SC20H18FN3O2Sc111913(12(2)23(11)155314(21)4615)101718(25)2220(27)24(19(17)26)167816h3691016H78H212H3(H222527)b1710
MFCD05728476
ZINC000017208411
ZINC17208411
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