Vitas-M small molecule compound
2-({4-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STK394224
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)C2CCCCC2)cc(c1OCc1ccccc1C#N)I
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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 C25H23IN2O3S2 MW 590.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23IN2O3S2/c1-30-21-12-16(11-20(26)23(21)31-15-18-8-6-5-7-17(18)14-27)13-22-24(29)28(25(32)33-22)19-9-3-2-4-10-19/h5-8,11-13,19H,2-4,9-10,15H2,1H3/b22-13+InChIKey
AWHJRWVFTKGFFK-LPYMAVHISA-NSynonyms
2((4((3CYCLOHEXYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)2IODO6METHOXYPHENOXY)METHYL)BENZENECARBONITRILE
2((4((E)(3cyclohexyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
2((4((E)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3CCCCC3)I)OCC4=CC=CC=C4C#N
COc1cc(C=C2SC(=S)N(C2=O)C2CCCCC2)cc(c1OCc1ccccc1C#N)I
InChI=1SC25H23IN2O3S2c130211216(1120(26)23(21)311518865717(18)1427)132224(29)28(25(32)3322)1993241019h58111319H2491015H21H3b2213+
MFCD04041798
ZINC000097964138
ZINC97964138
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