Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK569701
SMILES Clc1ccc2c(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 C26H16ClN3O7S MW 549.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16ClN3O7S/c27-15-4-7-17-20(12-15)38-26(28-17)29-22(13-1-5-16(6-2-13)30(34)35)21(24(32)25(29)33)23(31)14-3-8-18-19(11-14)37-10-9-36-18/h1-8,11-12,22,31H,9-10H2/b23-21+InChIKey
WIODTRBANIFEEU-XTQSDGFTSA-NSynonyms
618858-16-5(4E)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4nitrophenyl)pyrrolidine23dione
618858165
C1COC2=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
Clc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC26H16ClN3O7Sc2715471720(1215)3826(2817)2922(131516(6213)30(34)35)21(24(32)25(29)33)23(31)14381819(1114)371093618h1811122231H910H2b2321+
MFCD05731843
ZINC000102558726
ZINC000102558735
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