Vitas-M small molecule compound

6-(1H-benzimidazol-2-ylsulfanyl)-N,N'-diphenyl-1,3,5-triazine-2,4-diamine

Catalog ID
STK041877
SMILES c1ccc(cc1)Nc1nc(Nc2ccccc2)nc(n1)Sc1nc2c([nH]1)cccc2

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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 C22H17N7S MW 411.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N7S/c1-3-9-15(10-4-1)23-19-27-20(24-16-11-5-2-6-12-16)29-22(28-19)30-21-25-17-13-7-8-14-18(17)26-21/h1-14H,(H,25,26)(H2,23,24,27,28,29)
InChIKey
NJLMVRWRYWMQNF-UHFFFAOYSA-N
Synonyms

(4BENZIMIDAZOL2YLTHIO6(PHENYLAMINO)(135TRIAZIN2YL))PHENYLAMINE
6((1Hbenzo(d)imidazol2yl)thio)N2N4diphenyl135triazine24diamine
6(1HBENZIMIDAZOL2YLSULFANYL)2N4NDIPHENYL135TRIAZINE24DIAMINE
6(1HBENZIMIDAZOL2YLSULFANYL)NNDIPHENYL135TRIAZINE24DIAMINE
C1=CC=C(C=C1)NC2=NC(=NC(=N2)SC3=NC4=CC=CC=C4N3)NC5=CC=CC=C5
c1ccc(cc1)Nc1nc(Nc2ccccc2)nc(n1)Sc1nc2c((nH)1)cccc2
InChI=1SC22H17N7Sc13915(1041)23192720(2416115261216)2922(2819)3021251713781418(17)2621h114H(H2526)(H22324272829)
MFCD01958482
STK041877
ZINC000004608495
ZINC04608495
ZINC4608495

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.