Vitas-M small molecule compound
methyl 2-[(5Z)-5-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
Catalog ID
STL418802
SMILES COC(=O)c1ccccc1N1C(=S)S/C(=C\c2cn(c3c2cccc3)Cc2ccc(cc2)Cl)/C1=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 C27H19ClN2O3S2 MW 519.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN2O3S2/c1-33-26(32)21-7-3-5-9-23(21)30-25(31)24(35-27(30)34)14-18-16-29(22-8-4-2-6-20(18)22)15-17-10-12-19(28)13-11-17/h2-14,16H,15H2,1H3/b24-14-InChIKey
ZLQGVNJTSXHGTA-OYKKKHCWSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)SC2=S
COC(=O)c1ccccc1N1C(=S)SC(=Cc2cn(c3c2cccc3)Cc2ccc(cc2)Cl)C1=O
InChI=1SC27H19ClN2O3S2c13326(32)21735923(21)3025(31)24(3527(30)34)14181629(22842620(18)22)1517101219(28)131117h21416H15H21H3b2414
METHYL2((5Z)5((1((4CHLOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZOATE
methyl2((5Z)5((1(4chlorobenzyl)1Hindol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)benzoate
MFCD03167663
ZINC000034107127
ZINC34107127
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