Vitas-M small molecule compound
methyl 4-{(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL044167
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-15-5-7-19(8-6-15)25(32)22-24(18-9-11-20(12-10-18)28(35)36-4)31(27(34)26(22)33)29-30-23-17(3)13-16(2)14-21(23)37-29/h5-14,24,32H,1-4H3/b25-22+InChIKey
MMZGIJOLZNTJPU-YYDJUVGSSA-NSynonyms
514193-72-7514193727
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)C(=O)OC)O
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(cc2)C)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC29H24N2O5Sc1155719(8615)25(32)2224(1891120(121018)28(35)364)31(27(34)26(22)33)29302317(3)1316(2)1421(23)3729h5142432H14H3b2522+
methyl4((3E)1(46dimethyl13benzothiazol2yl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(46DIMETHYLBENZOTHIAZOL2YL)4HYDROXY3((4METHYLPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD03814043
ZINC000102874631
ZINC000102874635
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