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-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL042282
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[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/c1-13-9-16-10-15(5-8-20(16)37-13)24(32)22-23(14-3-2-4-18(11-14)31(35)36)30(26(34)25(22)33)27-29-19-7-6-17(28)12-21(19)38-27/h2-8,10-13,23,32H,9H2,1H3/b24-22+InChIKey
FGDSXLUFVPIPLJ-ZNTNEXAZSA-NSynonyms
877622-91-8(4E)1(6chloro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3nitrophenyl)pyrrolidine23dione
877622918
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC(=CC=C6)(N+)(=O)(O))O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1nc2c(s1)cc(cc2)Cl)O
InChI=1SC27H18ClN3O6Sc1139161015(5820(16)3713)24(32)2223(1432418(1114)31(35)36)30(26(34)25(22)33)2729197617(28)1221(19)3827h2810132332H9H21H3b2422+
MFCD05729137
ZINC000102736928
ZINC000102736934
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