Vitas-M small molecule compound
6-{[2-({(E)-[3-methyl-1-(2-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenyl]sulfanyl}-1H,3H-benzo[de]isochromene-1,3-dione
Catalog ID
STL294998
SMILES CC1=NN(C(=O)/C/1=C/Nc1ccccc1Sc1ccc2c3c1cccc3C(=O)OC2=O)c1ccccc1C
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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 C30H21N3O4S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21N3O4S/c1-17-8-3-5-12-24(17)33-28(34)22(18(2)32-33)16-31-23-11-4-6-13-26(23)38-25-15-14-21-27-19(25)9-7-10-20(27)29(35)37-30(21)36/h3-16,31H,1-2H3/b22-16+InChIKey
RCDLHDVGEUGMHE-CJLVFECKSA-NSynonyms
6((2(((E)(3methyl1(2methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)phenyl)sulfanyl)1H3Hbenzo(de)isochromene13dione
CC1=CC=CC=C1N2C(=O)C(=CNC3=CC=CC=C3SC4=C5C=CC=C6C5=C(C=C4)C(=O)OC6=O)C(=N2)C
CC1=NN(C(=O)C1=CNc1ccccc1Sc1ccc2c3c1cccc3C(=O)OC2=O)c1ccccc1C
InChI=1SC30H21N3O4Sc1178351224(17)3328(34)22(18(2)3233)16312311461326(23)38251514212719(25)971020(27)29(35)3730(21)36h31631H12H3b2216+
MFCD28032857
ZINC000101140781
ZINC101140781
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