Vitas-M small molecule compound
(4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK576710
SMILES Clc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C28H19Cl2N3O5S2 MW 612.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19Cl2N3O5S2/c29-18-7-4-15(5-8-18)14-39-28-32-31-27(40-28)33-23(16-2-1-3-19(30)12-16)22(25(35)26(33)36)24(34)17-6-9-20-21(13-17)38-11-10-37-20/h1-9,12-13,23,34H,10-11,14H2/b24-22+InChIKey
BUHRNTXPCZGUPO-ZNTNEXAZSA-NSynonyms
620576-93-4(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)5(3chlorophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
(4E)5(3CHLOROPHENYL)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
620576934
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)Cl)C6=CC(=CC=C6)Cl)O
Clc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC28H19Cl2N3O5S2c29187415(5818)143928323127(4028)3323(1621319(30)1216)22(25(35)26(33)36)24(34)17692021(1317)3811103720h1912132334H101114H2b2422+
MFCD07211958
ZINC000102580244
ZINC000102580252
Check stock
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Check stock on Vitas-MAvailable files
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