Vitas-M small molecule compound

(4E)-1-(6-chloro-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
STK566901
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nc2c(s1)cc(cc2)Cl)/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 C27H18ClN3O6S MW 547.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN3O6S/c1-13-10-16-11-15(4-9-20(16)37-13)24(32)22-23(14-2-6-18(7-3-14)31(35)36)30(26(34)25(22)33)27-29-19-8-5-17(28)12-21(19)38-27/h2-9,11-13,23,32H,10H2,1H3/b24-22+
InChIKey
ZMAUQISYADBSRA-ZNTNEXAZSA-N
Synonyms
862489-90-5
(4E)1(6chloro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4nitrophenyl)pyrrolidine23dione
862489905
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC=C(C=C6)(N+)(=O)(O))O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1nc2c(s1)cc(cc2)Cl)O
InChI=1SC27H18ClN3O6Sc11310161115(4920(16)3713)24(32)2223(142618(7314)31(35)36)30(26(34)25(22)33)2729198517(28)1221(19)3827h2911132332H10H21H3b2422+
MFCD05728081
ZINC000102544540
ZINC000102651006

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Available files

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