Vitas-M small molecule compound
(2E)-6,7-dimethyl-2-[5-nitro-2,4-di(piperidin-1-yl)benzylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK760726
SMILES [O-][N+](=O)c1cc(/C=c\2/sc3n(c2=O)c2c(n3)cc(c(c2)C)C)c(cc1N1CCCCC1)N1CCCCC1
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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 C28H31N5O3S MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3S/c1-18-13-21-23(14-19(18)2)32-27(34)26(37-28(32)29-21)16-20-15-25(33(35)36)24(31-11-7-4-8-12-31)17-22(20)30-9-5-3-6-10-30/h13-17H,3-12H2,1-2H3/b26-16+InChIKey
FQQBSTJWPDAGNH-WGOQTCKBSA-NSynonyms
(2E)67DIMETHYL2((5NITRO24DI(PIPERIDIN1YL)PHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2E)67dimethyl2(5nitro24di(piperidin1yl)benzylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(O)(N+)(=O)c1cc(C=c2sc3n(c2=O)c2c(n3)cc(c(c2)C)C)c(cc1N1CCCCC1)N1CCCCC1
CC1=CC2=C(C=C1C)N3C(=O)C(=CC4=CC(=C(C=C4N5CCCCC5)N6CCCCC6)(N+)(=O)(O))SC3=N2
InChI=1SC28H31N5O3Sc118132123(1419(18)2)3227(34)26(3728(32)2921)16201525(33(35)36)24(31117481231)1722(20)3095361030h1317H312H212H3b2616+
MFCD01160763
ZINC000008854661
ZINC08854661
ZINC8854661
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