Vitas-M small molecule compound
(5Z)-1-(3-bromophenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192730
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
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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 C23H17BrFN3O2S MW 498.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrFN3O2S/c1-13-10-15(14(2)27(13)18-8-6-17(25)7-9-18)11-20-21(29)26-23(31)28(22(20)30)19-5-3-4-16(24)12-19/h3-12H,1-2H3,(H,26,29,31)/b20-11-InChIKey
MRSJVVQMTPZIFP-JAIQZWGSSA-NSynonyms
(5Z)1(3BROMOPHENYL)5((1(4FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(3BROMOPHENYL)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br
Fc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
InChI=1SC23H17BrFN3O2Sc1131015(14(2)27(13)188617(25)7918)112021(29)2623(31)28(22(20)30)1953416(24)1219h312H12H3(H262931)b2011
MFCD04584006
ZINC000012363118
ZINC12363118
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