Vitas-M small molecule compound
(5E)-3-(cyclohexylmethyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
Catalog ID
STK119464
SMILES COc1ccc(cc1c1ccc(o1)/C=C\1/SC(=O)N(C1=O)CC1CCCCC1)[N+](=O)[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 C22H22N2O6S MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6S/c1-29-18-9-7-15(24(27)28)11-17(18)19-10-8-16(30-19)12-20-21(25)23(22(26)31-20)13-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3/b20-12+InChIKey
XZSLLXCRFBXMEZ-UDWIEESQSA-NSynonyms
(5E)3(CYCLOHEXYLMETHYL)5((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)13THIAZOLIDINE24DIONE
COC1=C(C=C(C=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC4CCCCC4
COc1ccc(cc1c1ccc(o1)C=C1SC(=O)N(C1=O)CC1CCCCC1)(N+)(=O)(O)
InChI=1SC22H22N2O6Sc129189715(24(27)28)1117(18)1910816(3019)122021(25)23(22(26)3120)13145324614h71214H2613H21H3b2012+
MFCD04128261
ZINC000009323727
ZINC09323727
ZINC9323727
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