Vitas-M small molecule compound
methyl 4-{(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK564853
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-15-13-16(2)23-21(14-15)38-29(30-23)31-24(17-5-7-19(8-6-17)28(35)37-4)22(26(33)27(31)34)25(32)18-9-11-20(36-3)12-10-18/h5-14,24,32H,1-4H3/b25-22+InChIKey
HKYSPVGLDTYFSQ-YYDJUVGSSA-NSynonyms
514194-36-6514194366
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC)C
COc1ccc(cc1)C(=C1C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC29H24N2O6Sc1151316(2)2321(1415)3829(3023)3124(175719(8617)28(35)374)22(26(33)27(31)34)25(32)1891120(363)121018h5142432H14H3b2522+
methyl4((3E)1(46dimethyl13benzothiazol2yl)3(hydroxy(4methoxyphenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(46DIMETHYLBENZOTHIAZOL2YL)4HYDROXY3((4METHOXYPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD03818586
ZINC000102530910
ZINC000102530920
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