Vitas-M small molecule compound
3-{3-[(4-nitrobenzyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}propanoic acid
Catalog ID
STL269871
SMILES OC(=O)CCc1nnc([nH]c1=O)SCc1ccc(cc1)[N+](=O)[O-]
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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 C13H12N4O5S MW 336.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O5S/c18-11(19)6-5-10-12(20)14-13(16-15-10)23-7-8-1-3-9(4-2-8)17(21)22/h1-4H,5-7H2,(H,18,19)(H,14,16,20)InChIKey
GHEBAXYIPKBYFE-UHFFFAOYSA-NSynonyms
898607-96-03(3((4nitrobenzyl)sulfanyl)5oxo45dihydro124triazin6yl)propanoicacid
3(3((4NITROBENZYL)THIO)5OXO45DIHYDRO124TRIAZIN6YL)PROPANOICACID
3(3((4NITROPHENYL)METHYLSULFANYL)5OXO2H124TRIAZIN6YL)PROPANOICACID
898607960
C1=CC(=CC=C1CSC2=NC(=O)C(=NN2)CCC(=O)O)(N+)(=O)(O)
InChI=1SC13H12N4O5Sc1811(19)651012(20)1413(161510)2378139(428)17(21)22h14H57H2(H1819)(H141620)
MFCD07651946
OC(=O)CCc1nnc((nH)c1=O)SCc1ccc(cc1)(N+)(=O)(O)
ZINC000004317184
ZINC4317184
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