Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK610448
SMILES CCc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccccc2)/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 C28H22N2O5S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O5S/c1-3-16-9-14-20-21(15-16)36-28(29-20)30-23(17-10-12-19(13-11-17)27(34)35-2)22(25(32)26(30)33)24(31)18-7-5-4-6-8-18/h4-15,23,31H,3H2,1-2H3/b24-22+InChIKey
UHMRMPKUZUIYLR-ZNTNEXAZSA-NSynonyms
618419-07-1618419071
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC
CCc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccccc2)O)C1c1ccc(cc1)C(=O)OC
InChI=1SC28H22N2O5Sc13169142021(1516)3628(2920)3023(17101219(131117)27(34)352)22(25(32)26(30)33)24(31)187546818h4152331H3H212H3b2422+
methyl4((3E)1(6ethyl13benzothiazol2yl)3(hydroxy(phenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(6ETHYLBENZOTHIAZOL2YL)4HYDROXY5OXO3(PHENYLCARBONYL)3PYRROLIN2YL)BENZOATE
MFCD08729588
ZINC000102707097
ZINC000102707102
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