Vitas-M small molecule compound
4-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-nitrobenzoate
Catalog ID
STK822516
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C/1\SC(=S)N(C1=O)C1CCCCC1
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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 C24H22N2O6S2 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O6S2/c1-31-20-12-15(13-21-22(27)25(24(33)34-21)17-7-3-2-4-8-17)10-11-19(20)32-23(28)16-6-5-9-18(14-16)26(29)30/h5-6,9-14,17H,2-4,7-8H2,1H3/b21-13-InChIKey
DTLVMXSHIMBQML-BKUYFWCQSA-NSynonyms
(4((Z)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)3NITROBENZOATE
(Z)4((3cyclohexyl4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenyl3nitrobenzoate
4((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl3nitrobenzoate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3CCCCC3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC24H22N2O6S2c131201215(132122(27)25(24(33)3421)177324817)101119(20)3223(28)1665918(1416)26(29)30h5691417H2478H21H3b2113
MFCD01958036
ZINC000013775350
ZINC13775350
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