Vitas-M small molecule compound
(5E)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-{[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
Catalog ID
STK317999
SMILES O=C1S/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[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 C22H13ClN2O8S MW 500.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClN2O8S/c23-14-8-19-18(31-10-32-19)6-12(14)9-24-21(27)20(34-22(24)28)7-13-2-4-17(33-13)11-1-3-16(26)15(5-11)25(29)30/h1-8,26H,9-10H2/b20-7+InChIKey
CJSLUIOXWBEVAM-IFRROFPPSA-NSynonyms
(5E)3((6chloro13benzodioxol5yl)methyl)5((5(4hydroxy3nitrophenyl)furan2yl)methylidene)13thiazolidine24dione
C1OC2=C(O1)C=C(C(=C2)CN3C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)O)(N+)(=O)(O))SC3=O)Cl
InChI=1SC22H13ClN2O8Sc231481918(31103219)612(14)92421(27)20(3422(24)28)7132417(3313)111316(26)15(511)25(29)30h1826H910H2b207+
MFCD09961410
O=C1SC(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))O)C(=O)N1Cc1cc2OCOc2cc1Cl
ZINC000012650310
ZINC12650310
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