Vitas-M small molecule compound
methyl 4-[(E)-{3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]benzoate
Catalog ID
STK630584
SMILES COC(=O)c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CC(=O)N1CCN(CC1)C
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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 C19H21N3O4S2 MW 419.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4S2/c1-20-7-9-21(10-8-20)16(23)12-22-17(24)15(28-19(22)27)11-13-3-5-14(6-4-13)18(25)26-2/h3-6,11H,7-10,12H2,1-2H3/b15-11+InChIKey
ALJVJNKDDJOREH-RVDMUPIBSA-NSynonyms
929825-23-0(E)methyl4((3(2(4methylpiperazin1yl)2oxoethyl)4oxo2thioxothiazolidin5ylidene)methyl)benzoate
929825230
CN1CCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)SC2=S
COC(=O)c1ccc(cc1)C=C1SC(=S)N(C1=O)CC(=O)N1CCN(CC1)C
InChI=1SC19H21N3O4S2c1207921(10820)16(23)122217(24)15(2819(22)27)11133514(6413)18(25)262h3611H71012H212H3b1511+
methyl4((E)(3(2(4methylpiperazin1yl)2oxoethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)benzoate
methyl4((E)(3(2(4methylpiperazin1yl)2oxoethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)benzoate
MFCD09846758
ZINC000020648581
ZINC20648581
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