Vitas-M small molecule compound

3-{[3-(1H-benzimidazol-2-yl)propyl]amino}-6-methyl-1,2,4-triazin-5(4H)-one

Catalog ID
STL230173
SMILES O=c1[nH]c(NCCCc2nc3c([nH]2)cccc3)nnc1C

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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 C14H16N6O MW 284.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N6O/c1-9-13(21)18-14(20-19-9)15-8-4-7-12-16-10-5-2-3-6-11(10)17-12/h2-3,5-6H,4,7-8H2,1H3,(H,16,17)(H2,15,18,20,21)
InChIKey
WZJPLDZPAPJFQZ-UHFFFAOYSA-N
Synonyms

3((3(1Hbenzimidazol2yl)propyl)amino)6methyl124triazin5(4H)one
3(3(1HBENZIMIDAZOL2YL)PROPYLAMINO)6METHYL2H124TRIAZIN5ONE
CC1=NNC(=NC1=O)NCCCC2=NC3=CC=CC=C3N2
InChI=1SC14H16N6Oc1913(21)1814(20199)15847121610523611(10)1712h2356H478H21H3(H1617)(H215182021)
MFCD06641608
O=c1(nH)c(NCCCc2nc3c((nH)2)cccc3)nnc1C
ZINC000008914229
ZINC03857338
ZINC08914229
ZINC8914229

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Available files

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