Vitas-M small molecule compound
3-(6,6-dimethyl-5-oxo-3-sulfanyl-5,6-dihydro-1,2,4-triazin-1(2H)-yl)-4-[(2-fluorophenyl)amino]-4-oxobutanoic acid
Catalog ID
STK263491
SMILES OC(=O)CC(N1NC(=NC(=O)C1(C)C)S)C(=O)Nc1ccccc1F
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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 C15H17FN4O4S MW 368.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17FN4O4S/c1-15(2)13(24)18-14(25)19-20(15)10(7-11(21)22)12(23)17-9-6-4-3-5-8(9)16/h3-6,10H,7H2,1-2H3,(H,17,23)(H,21,22)(H2,18,19,24,25)InChIKey
ZCEZBZNDGMOOKT-UHFFFAOYSA-NSynonyms
907971-46-43(66dimethyl5oxo3sulfanyl56dihydro124triazin1(2H)yl)4((2fluorophenyl)amino)4oxobutanoicacid
3(66dimethyl5oxo3sulfanylidene124triazinan1yl)4(2fluoroanilino)4oxobutanoicacid
4((2fluorophenyl)amino)3(3mercapto66dimethyl5oxo56dihydro124triazin1(2H)yl)4oxobutanoicacid
907971464
CC1(C(=O)NC(=S)NN1C(CC(=O)O)C(=O)NC2=CC=CC=C2F)C
InChI=1SC15H17FN4O4Sc115(2)13(24)1814(25)1920(15)10(711(21)22)12(23)17964358(9)16h3610H7H212H3(H1723)(H2122)(H218192425)
MFCD08547438
ZINC000009489179
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