Vitas-M small molecule compound
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STL041781
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/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 C29H22N2O8S MW 558.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O8S/c1-36-18-8-9-19-22(14-18)40-29(30-19)31-24(15-3-5-16(6-4-15)28(35)37-2)23(26(33)27(31)34)25(32)17-7-10-20-21(13-17)39-12-11-38-20/h3-10,13-14,24,32H,11-12H2,1-2H3/b25-23+InChIKey
LEAWRFSQHSPZTJ-WJTDDFOZSA-NSynonyms
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)C(=O)OC
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(cc1)C(=O)OC
InChI=1SC29H22N2O8Sc13618891922(1418)4029(3019)3124(153516(6415)28(35)372)23(26(33)27(31)34)25(32)177102021(1317)3912113820h31013142432H1112H212H3b2523+
methyl4((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)45dioxopyrrolidin2yl)benzoate
MFCD07208151
ZINC000102868730
ZINC000102868732
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