Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL041191
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1sc2c(n1)c(C)cc(c2)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 C29H23N3O6S MW 541.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6S/c1-14-10-15(2)24-22(11-14)39-29(30-24)31-25(17-4-7-20(8-5-17)32(36)37)23(27(34)28(31)35)26(33)18-6-9-21-19(13-18)12-16(3)38-21/h4-11,13,16,25,33H,12H2,1-3H3/b26-23+InChIKey
QLUGADQCJFSLRD-WNAAXNPUSA-NSynonyms
877789-74-7(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4nitrophenyl)pyrrolidine23dione
877789747
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC=C(C=C6)(N+)(=O)(O))O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1sc2c(n1)c(C)cc(c2)C)O
InChI=1SC29H23N3O6Sc1141015(2)2422(1114)3929(3024)3125(174720(8517)32(36)37)23(27(34)28(31)35)26(33)18692119(1318)1216(3)3821h41113162533H12H213H3b2623+
MFCD05736887
ZINC000102736999
ZINC000102737007
Check stock
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