Vitas-M small molecule compound
(5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-thiazolidine-2,4-dione
Catalog ID
STL378952
SMILES O=C1S/C(=C/c2ccc(o2)c2ccc(cc2Br)[N+](=O)[O-])/C(=O)N1Cc1cc2OCOc2cc1Cl
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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 C22H12BrClN2O7S MW 563.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12BrClN2O7S/c23-15-6-12(26(29)30)1-3-14(15)17-4-2-13(33-17)7-20-21(27)25(22(28)34-20)9-11-5-18-19(8-16(11)24)32-10-31-18/h1-8H,9-10H2/b20-7+InChIKey
GJCITKYVAPKIMU-IFRROFPPSA-NSynonyms
(5E)5((5(2bromo4nitrophenyl)furan2yl)methylidene)3((6chloro13benzodioxol5yl)methyl)13thiazolidine24dione
C1OC2=C(O1)C=C(C(=C2)CN3C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))Br)SC3=O)Cl
InChI=1SC22H12BrClN2O7Sc2315612(26(29)30)1314(15)174213(3317)72021(27)25(22(28)3420)91151819(816(11)24)32103118h18H910H2b207+
MFCD03614596
O=C1SC(=Cc2ccc(o2)c2ccc(cc2Br)(N+)(=O)(O))C(=O)N1Cc1cc2OCOc2cc1Cl
ZINC000001411690
ZINC1411690
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