Vitas-M small molecule compound
methyl 2-[(3E)-3-[(4-butoxy-3-methylphenyl)(hydroxy)methylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL040621
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)c1nc(c(s1)C(=O)OC)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 C28H27FN2O6S MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FN2O6S/c1-5-6-13-37-20-12-9-18(14-15(20)2)23(32)21-22(17-7-10-19(29)11-8-17)31(26(34)24(21)33)28-30-16(3)25(38-28)27(35)36-4/h7-12,14,22,32H,5-6,13H2,1-4H3/b23-21+InChIKey
VCBSJWBDZVGMJI-XTQSDGFTSA-NSynonyms
371207-69-1371207691
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)F)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)c1nc(c(s1)C(=O)OC)C)O
InChI=1SC28H27FN2O6Sc15613372012918(1415(20)2)23(32)2122(1771019(29)11817)31(26(34)24(21)33)283016(3)25(3828)27(35)364h712142232H5613H214H3b2321+
methyl2((3E)3((4butoxy3methylphenyl)(hydroxy)methylidene)2(4fluorophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)3((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05725428
ZINC000102866294
ZINC000102866297
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