Vitas-M small molecule compound
methyl 4-[5-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]benzoate
Catalog ID
STK766028
SMILES COC(=O)c1ccc(cc1)n1nnnc1SCc1nc(N)nc(n1)N1CCOCC1
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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 C17H19N9O3S MW 429.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N9O3S/c1-28-14(27)11-2-4-12(5-3-11)26-17(22-23-24-26)30-10-13-19-15(18)21-16(20-13)25-6-8-29-9-7-25/h2-5H,6-10H2,1H3,(H2,18,19,20,21)InChIKey
KHHHQIUOISQEBU-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=NC(=N3)N)N4CCOCC4
InChI=1SC17H19N9O3Sc12814(27)112412(5311)2617(22232426)3010131915(18)2116(2013)2568299725h25H610H21H3(H218192021)
methyl4(5(((4amino6(morpholin4yl)135triazin2yl)methyl)sulfanyl)1Htetrazol1yl)benzoate
METHYL4(5((4AMINO6MORPHOLIN4YL135TRIAZIN2YL)METHYLSULFANYL)TETRAZOL1YL)BENZOATE
MFCD03035867
ZINC000002190755
ZINC02190755
ZINC2190755
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