Vitas-M small molecule compound

6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-N-phenyl-1,3,5-triazine-2,4-diamine

Catalog ID
STK203056
SMILES Nc1nc(CSc2nnnn2C)nc(n1)Nc1ccccc1

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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 C12H13N9S MW 315.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N9S/c1-21-12(18-19-20-21)22-7-9-15-10(13)17-11(16-9)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,13,14,15,16,17)
InChIKey
LJIHYAOYCCRREN-UHFFFAOYSA-N
Synonyms

6(((1METHYL1HTETRAZOL5YL)SULFANYL)METHYL)NPHENYL135TRIAZINE24DIAMINE
6((1METHYLTETRAZOL5YL)SULFANYLMETHYL)2NPHENYL135TRIAZINE24DIAMINE
CN1C(=NN=N1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N
InChI=1SC12H13N9Sc12112(18192021)22791510(13)1711(169)148532468h26H7H21H3(H31314151617)
MFCD05839498
ZINC000000529326
ZINC00529326
ZINC529326

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Available files

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