Vitas-M small molecule compound
1-[5-chloro-4-(methylamino)-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Catalog ID
STK593525
SMILES CNc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3
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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 C16H20ClN3O3 MW 337.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClN3O3/c1-18-11-7-19-20(14(21)13(11)17)16-5-8-2-9(6-16)4-10(3-8)12(16)15(22)23/h7-10,12,18H,2-6H2,1H3,(H,22,23)InChIKey
YIHCXWCOQLUFGG-UHFFFAOYSA-NSynonyms
1009672-65-4(1S2R3S5R7S)1(5chloro4(methylamino)6oxopyridazin1(6H)yl)adamantane2carboxylicacid
1(5chloro4(methylamino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(5CHLORO4(METHYLAMINO)6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1009672654
CNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)C3C(=O)O)Cl
InChI=1SC16H20ClN3O3c1181171920(14(21)13(11)17)165829(616)410(38)12(16)15(22)23h7101218H26H21H3(H2223)
MFCD06601424
ZINC000101273578
ZINC000245380976
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