Vitas-M small molecule compound
methyl [(5Z)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl]acetate
Catalog ID
STL369423
SMILES COC(=O)CN1C(=S)N(C(=O)/C/1=C/c1cc(n(c1C)c1ccc(cc1)Br)C)C
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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 C20H20BrN3O3S MW 462.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O3S/c1-12-9-14(13(2)24(12)16-7-5-15(21)6-8-16)10-17-19(26)22(3)20(28)23(17)11-18(25)27-4/h5-10H,11H2,1-4H3/b17-10-InChIKey
KQSZTPQEIJOXIC-YVLHZVERSA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C(=O)N(C(=S)N3CC(=O)OC)C
COC(=O)CN1C(=S)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)Br)C)C
InChI=1SC20H20BrN3O3Sc112914(13(2)24(12)167515(21)6816)101719(26)22(3)20(28)23(17)1118(25)274h510H11H214H3b1710
methyl((5Z)5((1(4bromophenyl)25dimethyl1Hpyrrol3yl)methylidene)3methyl4oxo2thioxoimidazolidin1yl)acetate
METHYL2((5Z)5((1(4BROMOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)3METHYL4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD03721398
ZINC000015011225
ZINC15011225
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