Vitas-M small molecule compound
methyl 4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK567523
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/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 C30H24N2O7S MW 556.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O7S/c1-15-12-19-13-18(8-11-22(19)39-15)26(33)24-25(16-4-6-17(7-5-16)29(36)38-3)32(28(35)27(24)34)30-31-21-10-9-20(37-2)14-23(21)40-30/h4-11,13-15,25,33H,12H2,1-3H3/b26-24+InChIKey
OHLUARWFYYYBDU-SHHOIMCASA-NSynonyms
893697-27-3893697273
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CC=C(C=C6)C(=O)OC)O
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(cc1)C(=O)OC
InChI=1SC30H24N2O7Sc11512191318(81122(19)3915)26(33)2425(164617(7516)29(36)383)32(28(35)27(24)34)30312110920(372)1423(21)4030h41113152533H12H213H3b2624+
methyl4((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)45dioxopyrrolidin2yl)benzoate
MFCD05730136
ZINC000102547944
ZINC000102651346
Check stock
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