Vitas-M small molecule compound
(2Z)-6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)-3-nitrobenzylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK826176
SMILES CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])/C=c/1\sc2n(c1=O)c1c(n2)cc(c(c1)C)C
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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 C23H23N5O3S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O3S/c1-14-10-17-19(11-15(14)2)27-22(29)21(32-23(27)24-17)13-16-4-5-18(20(12-16)28(30)31)26-8-6-25(3)7-9-26/h4-5,10-13H,6-9H2,1-3H3/b21-13-InChIKey
JNESNEJXRQSNRU-BKUYFWCQSA-NSynonyms
(2Z)67DIMETHYL2((4(4METHYLPIPERAZIN1YL)3NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)67dimethyl2(4(4methylpiperazin1yl)3nitrobenzylidene)(13)thiazolo(32a)benzimidazol3(2H)one
CC1=CC2=C(C=C1C)N3C(=O)C(=CC4=CC(=C(C=C4)N5CCN(CC5)C)(N+)(=O)(O))SC3=N2
CN1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C=c1sc2n(c1=O)c1c(n2)cc(c(c1)C)C
InChI=1SC23H23N5O3Sc114101719(1115(14)2)2722(29)21(3223(27)2417)13164518(20(1216)28(30)31)268625(3)7926h451013H69H213H3b2113
MFCD01539920
ZINC000006194693
ZINC6194693
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