Vitas-M small molecule compound
(4E)-5-(3-bromophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK570018
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)c1nc2c(s1)cc(cc2)C)/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 C28H21BrN2O4S MW 561.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O4S/c1-14-6-8-20-22(10-14)36-28(30-20)31-24(16-4-3-5-19(29)13-16)23(26(33)27(31)34)25(32)17-7-9-21-18(12-17)11-15(2)35-21/h3-10,12-13,15,24,32H,11H2,1-2H3/b25-23+InChIKey
OTCXKTNBYVXJDY-WJTDDFOZSA-NSynonyms
893699-28-0(4E)5(3bromophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
893699280
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=CC=C6)Br)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)c1nc2c(s1)cc(cc2)C)O
InChI=1SC28H21BrN2O4Sc114682022(1014)3628(3020)3124(1643519(29)1316)23(26(33)27(31)34)25(32)17792118(1217)1115(2)3521h3101213152432H11H212H3b2523+
MFCD05728006
ZINC000102560149
ZINC000102654790
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