Vitas-M small molecule compound
benzyl {[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STL168361
SMILES O=C(CSc1nnc(n1N)c1ccncc1)OCc1ccccc1
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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 C16H15N5O2S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O2S/c17-21-15(13-6-8-18-9-7-13)19-20-16(21)24-11-14(22)23-10-12-4-2-1-3-5-12/h1-9H,10-11,17H2InChIKey
RRJJSJDZGRBRRZ-UHFFFAOYSA-NSynonyms
827592-92-7827592927
benzyl((4amino5(pyridin4yl)4H124triazol3yl)sulfanyl)acetate
BENZYL2((4AMINO5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETATE
C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3
InChI=1SC16H15N5O2Sc172115(1368189713)192016(21)241114(22)2310124213512h19H101117H2
MFCD03610228
ZINC000002776614
ZINC02776614
ZINC2776614
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