Vitas-M small molecule compound

2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazol-6-amine

Catalog ID
STL055126
SMILES C1CCN(CC1)c1nc(Nc2ccc3c(c2)sc(n3)SCc2nc3c([nH]2)cccc3)nc(n1)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 C28H31N9S2 MW 557.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N9S2/c1-5-13-36(14-6-1)26-33-25(34-27(35-26)37-15-7-2-8-16-37)29-19-11-12-22-23(17-19)39-28(32-22)38-18-24-30-20-9-3-4-10-21(20)31-24/h3-4,9-12,17H,1-2,5-8,13-16,18H2,(H,30,31)(H,29,33,34,35)
InChIKey
ORQZKMUFUQRICD-UHFFFAOYSA-N
Synonyms

2(((1Hbenzo(d)imidazol2yl)methyl)thio)N(46di(piperidin1yl)135triazin2yl)benzo(d)thiazol6amine
2((1Hbenzimidazol2ylmethyl)sulfanyl)N(46di(piperidin1yl)135triazin2yl)13benzothiazol6amine
2(1HBENZIMIDAZOL2YLMETHYLSULFANYL)N(46DI(PIPERIDIN1YL)135TRIAZIN2YL)13BENZOTHIAZOL6AMINE
C1CCN(CC1)c1nc(Nc2ccc3c(c2)sc(n3)SCc2nc3c((nH)2)cccc3)nc(n1)N1CCCCC1
C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC5=NC6=CC=CC=C6N5)N7CCCCC7
InChI=1SC28H31N9S2c151336(1461)263325(3427(3526)37157281637)291911122223(1719)3928(3222)38182430209341021(20)3124h3491217H1258131618H2(H3031)(H29333435)
MFCD03082357
ZINC000001860739
ZINC01860739
ZINC1860739

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Available files

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