Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK594420
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)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 C26H21FN2O5S MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN2O5S/c1-12-10-16-11-15(8-9-19(16)34-12)22(31)20-21(17-6-4-5-7-18(17)27)29(25(33)23(20)32)26-28-13(2)24(35-26)14(3)30/h4-9,11-12,21,31H,10H2,1-3H3/b22-20+InChIKey
IKPBHCPOTILEIW-LSDHQDQOSA-NSynonyms
897835-87-9(4E)1(5acetyl4methyl13thiazol2yl)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
897835879
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)C)C)C5=CC=CC=C5F)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2ccccc2F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)C)O
InChI=1SC26H21FN2O5Sc11210161115(8919(16)3412)22(31)2021(17645718(17)27)29(25(33)23(20)32)262813(2)24(3526)14(3)30h4911122131H10H213H3b2220+
MFCD07200266
ZINC000102614940
ZINC000102677370
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