Vitas-M small molecule compound
{3-[4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid
Catalog ID
STK579007
SMILES OC(=O)Cc1ccc(cc1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2)(C3)CC(=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 C24H26ClN3O5 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN3O5/c25-21-18(27-17-3-1-14(2-4-17)6-19(29)30)12-26-28(22(21)33)24-9-15-5-16(10-24)8-23(7-15,13-24)11-20(31)32/h1-4,12,15-16,27H,5-11,13H2,(H,29,30)(H,31,32)InChIKey
FGXCNCFIRSIOBL-UHFFFAOYSA-NSynonyms
896852-80-5(3(4((4(carboxymethyl)phenyl)amino)5chloro6oxopyridazin1(6H)yl)tricyclo(3311~37~)dec1yl)aceticacid
(3(4(4CARBOXYMETHYLPHENYLAMINO)5CHLORO6OXO6HPYRIDAZIN1YL)ADAMANTAN1YL)ACETICACID
2(4((1((1s3r5R7S)3(carboxymethyl)adamantan1yl)5chloro6oxo16dihydropyridazin4yl)amino)phenyl)aceticacid
2(4((1(3(CARBOXYMETHYL)1ADAMANTYL)5CHLORO6OXOPYRIDAZIN4YL)AMINO)PHENYL)ACETICACID
896852805
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)CC(=O)O)Cl)CC(=O)O
InChI=1SC24H26ClN3O5c252118(27173114(2417)619(29)30)122628(22(21)33)24915516(1024)823(7151324)1120(31)32h1412151627H51113H2(H2930)(H3132)
MFCD06603639
ZINC000101278275
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