Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK569909
SMILES Cc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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 C27H19N3O7S MW 529.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O7S/c1-14-2-8-18-21(12-14)38-27(28-18)29-23(15-3-6-17(7-4-15)30(34)35)22(25(32)26(29)33)24(31)16-5-9-19-20(13-16)37-11-10-36-19/h2-9,12-13,23,31H,10-11H2,1H3/b24-22+InChIKey
UBUVTNFAJYNKTN-ZNTNEXAZSA-NSynonyms
618858-77-8(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methyl13benzothiazol2yl)5(4nitrophenyl)pyrrolidine23dione
618858778
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)(N+)(=O)(O)
Cc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC27H19N3O7Sc114281821(1214)3827(2818)2923(153617(7415)30(34)35)22(25(32)26(29)33)24(31)16591920(1316)3711103619h2912132331H1011H21H3b2422+
MFCD05737819
ZINC000102559547
ZINC000102559552
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