Vitas-M small molecule compound
(5E)-3-cyclohexyl-5-{[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK076396
SMILES S=C1S/C(=C/c2ccc(o2)c2ccc(c(c2)C)[N+](=O)[O-])/C(=O)N1C1CCCCC1
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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 C21H20N2O4S2 MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S2/c1-13-11-14(7-9-17(13)23(25)26)18-10-8-16(27-18)12-19-20(24)22(21(28)29-19)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3/b19-12+InChIKey
VGUJZXTYNASYST-XDHOZWIPSA-NSynonyms
(5E)3cyclohexyl5((5(3methyl4nitrophenyl)furan2yl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3CYCLOHEXYL5((5(3METHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)C4CCCCC4)(N+)(=O)(O)
InChI=1SC21H20N2O4S2c1131114(7917(13)23(25)26)1810816(2718)121920(24)22(21(28)2919)155324615h71215H26H21H3b1912+
MFCD01963464
S=C1SC(=Cc2ccc(o2)c2ccc(c(c2)C)(N+)(=O)(O))C(=O)N1C1CCCCC1
STK076396
ZINC000009296520
ZINC09296520
ZINC9296520
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