Vitas-M small molecule compound
(4E)-4-[hydroxy(3-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK616906
SMILES COc1cccc(c1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1sc2c(n1)ccc(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 C26H19N3O6S MW 501.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O6S/c1-14-9-10-19-20(11-14)36-26(27-19)28-22(15-5-3-7-17(12-15)29(33)34)21(24(31)25(28)32)23(30)16-6-4-8-18(13-16)35-2/h3-13,22,30H,1-2H3/b23-21+InChIKey
BVADPLZXZFIZOP-XTQSDGFTSA-NSynonyms
607686-23-7(4E)4(hydroxy(3methoxyphenyl)methylidene)1(6methyl13benzothiazol2yl)5(3nitrophenyl)pyrrolidine23dione
607686237
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC(=CC=C5)(N+)(=O)(O)
COc1cccc(c1)C(=C1C(c2cccc(c2)(N+)(=O)(O))N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC26H19N3O6Sc1149101920(1114)3626(2719)2822(1553717(1215)29(33)34)21(24(31)25(28)32)23(30)1664818(1316)352h3132230H12H3b2321+
MFCD08735899
ZINC000102715429
ZINC000102715435
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