Vitas-M small molecule compound
methyl 4-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK630071
SMILES COc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2ccc(c(c2)C)OC)\O)/C(=O)C1=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 C29H24N2O7S MW 544.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7S/c1-15-13-18(9-12-21(15)37-3)25(32)23-24(16-5-7-17(8-6-16)28(35)38-4)31(27(34)26(23)33)29-30-20-11-10-19(36-2)14-22(20)39-29/h5-14,24,32H,1-4H3/b25-23+InChIKey
OHCKUAUCDQFAHJ-WJTDDFOZSA-NSynonyms
618419-72-0618419720
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OC)C5=CC=C(C=C5)C(=O)OC)O)OC
COc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)C(=C(c2ccc(c(c2)C)OC)O)C(=O)C1=O
InChI=1SC29H24N2O7Sc1151318(91221(15)373)25(32)2324(165717(8616)28(35)384)31(27(34)26(23)33)293020111019(362)1422(20)3929h5142432H14H3b2523+
methyl4((3E)3(hydroxy(4methoxy3methylphenyl)methylidene)1(6methoxy13benzothiazol2yl)45dioxopyrrolidin2yl)benzoate
METHYL4(4HYDROXY1(6METHOXYBENZOTHIAZOL2YL)3((4METHOXY3METHYLPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD09791216
ZINC000102733468
ZINC000102733471
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