Vitas-M small molecule compound
2-[(5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
Catalog ID
STK814645
SMILES CC1Oc2c(C1)cc(cc2)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCS(=O)(=O)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 C24H21N3O5S3 MW 527.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5S3/c1-15-11-17-12-16(7-8-20(17)32-15)22-18(14-27(25-22)19-5-3-2-4-6-19)13-21-23(28)26(24(33)34-21)9-10-35(29,30)31/h2-8,12-15H,9-11H2,1H3,(H,29,30,31)/b21-13-InChIKey
PCLJWEZUOYANNR-BKUYFWCQSA-NSynonyms
2((5Z)5((3(2METHYL23DIHYDRO1BENZOFURAN5YL)1PHENYL1HPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANE1SULFONICACID
2((5Z)5((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
2((5Z)5((3(2METHYL23DIHYDRO1BENZOFURAN5YL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANESULFONICACID
2(5((3(2METHYL23DIHYDROBENZOFURAN5YL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)ETHANESULFONICACID
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCS(=O)(=O)O)C5=CC=CC=C5
CC1Oc2c(C1)cc(cc2)c1nn(cc1C=C1SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1
InChI=1SC24H21N3O5S3c11511171216(7820(17)3215)2218(1427(2522)195324619)132123(28)26(24(33)3421)91035(2930)31h281215H911H21H3(H293031)b2113
MFCD04442257
RHODANINEDERIVATIVE39
ZINC000002533630
ZINC000070622137
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