Vitas-M small molecule compound
3-{3-[(2-methylbenzyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}propanoic acid
Catalog ID
STL269869
SMILES OC(=O)CCc1nnc([nH]c1=O)SCc1ccccc1C
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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 C14H15N3O3S MW 305.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O3S/c1-9-4-2-3-5-10(9)8-21-14-15-13(20)11(16-17-14)6-7-12(18)19/h2-5H,6-8H2,1H3,(H,18,19)(H,15,17,20)InChIKey
FGOKBLSMYJYHMF-UHFFFAOYSA-NSynonyms
898607-93-73(3((2methylbenzyl)sulfanyl)5oxo45dihydro124triazin6yl)propanoicacid
3(3((2METHYLBENZYL)THIO)5OXO45DIHYDRO124TRIAZIN6YL)PROPANOICACID
3(3((2METHYLPHENYL)METHYLSULFANYL)5OXO2H124TRIAZIN6YL)PROPANOICACID
898607937
CC1=CC=CC=C1CSC2=NC(=O)C(=NN2)CCC(=O)O
InChI=1SC14H15N3O3Sc19423510(9)821141513(20)11(161714)6712(18)19h25H68H21H3(H1819)(H151720)
MFCD07651944
OC(=O)CCc1nnc((nH)c1=O)SCc1ccccc1C
ZINC000004317181
ZINC4317181
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