Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL054598
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)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 C29H23FN2O4S MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O4S/c1-14-10-15(2)24-22(11-14)37-29(31-24)32-25(19-6-4-5-7-20(19)30)23(27(34)28(32)35)26(33)17-8-9-21-18(13-17)12-16(3)36-21/h4-11,13,16,25,33H,12H2,1-3H3/b26-23+InChIKey
WOTDXPVZNGCLAU-WNAAXNPUSA-NSynonyms
862191-80-8(4E)1(46dimethyl13benzothiazol2yl)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
862191808
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC=CC=C6F)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2ccccc2F)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC29H23FN2O4Sc1141015(2)2422(1114)3729(3124)3225(19645720(19)30)23(27(34)28(32)35)26(33)17892118(1317)1216(3)3621h41113162533H12H213H3b2623+
MFCD05729423
ZINC000102735595
ZINC000102735600
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