Vitas-M small molecule compound
methyl 2-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK567245
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccccc1F
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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 C26H21FN2O6S MW 508.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN2O6S/c1-12-10-15-11-14(8-9-18(15)35-12)21(30)19-20(16-6-4-5-7-17(16)27)29(24(32)22(19)31)26-28-13(2)23(36-26)25(33)34-3/h4-9,11-12,20,30H,10H2,1-3H3/b21-19+InChIKey
MFVFEOMOJVVQPW-XUTLUUPISA-NSynonyms
877777-33-8877777338
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OC)C)C5=CC=CC=C5F)O
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccccc1F
InChI=1SC26H21FN2O6Sc11210151114(8918(15)3512)21(30)1920(16645717(16)27)29(24(32)22(19)31)262813(2)23(3626)25(33)343h4911122030H10H213H3b2119+
methyl2((3E)2(2fluorophenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05729536
ZINC000102546442
ZINC000102651586
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