Vitas-M small molecule compound
1-{5-chloro-4-[(3-hydroxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Catalog ID
STK583704
SMILES Oc1cccc(c1)Nc1cnn(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 C21H22ClN3O4 MW 415.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4/c22-18-16(24-14-2-1-3-15(26)7-14)10-23-25(19(18)27)21-8-11-4-12(9-21)6-13(5-11)17(21)20(28)29/h1-3,7,10-13,17,24,26H,4-6,8-9H2,(H,28,29)InChIKey
KDAMRHZWGVHROA-UHFFFAOYSA-NSynonyms
1024362-91-1(1S2R3S5R7S)1(5chloro4((3hydroxyphenyl)amino)6oxopyridazin1(6H)yl)adamantane2carboxylicacid
1(5chloro4((3hydroxyphenyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(5CHLORO4(3HYDROXYANILINO)6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1024362911
C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)NC5=CC(=CC=C5)O)Cl
InChI=1SC21H22ClN3O4c221816(241421315(26)714)102325(19(18)27)21811412(921)613(511)17(21)20(28)29h1371013172426H4689H2(H2829)
MFCD06594601
ZINC000004912705
ZINC000013813933
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