Vitas-M small molecule compound
methyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK617629
SMILES CCc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)C(=O)OC
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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 C28H21ClN2O5S MW 533.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O5S/c1-3-15-4-13-20-21(14-15)37-28(30-20)31-23(16-5-7-18(8-6-16)27(35)36-2)22(25(33)26(31)34)24(32)17-9-11-19(29)12-10-17/h4-14,23,32H,3H2,1-2H3/b24-22+InChIKey
SQHIGWBEZBTIAS-ZNTNEXAZSA-NSynonyms
618424-30-9618424309
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC
CCc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccc(cc1)C(=O)OC
InChI=1SC28H21ClN2O5Sc13154132021(1415)3728(3020)3123(165718(8616)27(35)362)22(25(33)26(31)34)24(32)1791119(29)121017h4142332H3H212H3b2422+
methyl4((3E)3((4chlorophenyl)(hydroxy)methylidene)1(6ethyl13benzothiazol2yl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(6ETHYL13BENZOTHIAZOL2YL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(3((4CHLOROPHENYL)CARBONYL)1(6ETHYLBENZOTHIAZOL2YL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD09793799
ZINC000102716237
ZINC000102716239
Check stock
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Check stock on Vitas-MAvailable files
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