Vitas-M small molecule compound
(4E)-5-(4-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK568241
SMILES Clc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C28H21ClN2O5S MW 533.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O5S/c1-14-11-15(2)23-21(12-14)37-28(30-23)31-24(16-3-6-18(29)7-4-16)22(26(33)27(31)34)25(32)17-5-8-19-20(13-17)36-10-9-35-19/h3-8,11-13,24,32H,9-10H2,1-2H3/b25-22+InChIKey
SWPJJPNAAMDUMO-YYDJUVGSSA-NSynonyms
618859-05-5(4E)5(4chlorophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
618859055
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)Cl)C
Clc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC28H21ClN2O5Sc1141115(2)2321(1214)3728(3023)3124(163618(29)7416)22(26(33)27(31)34)25(32)17581920(1317)361093519h3811132432H910H212H3b2522+
MFCD05737358
ZINC000102551285
ZINC000102551295
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