Vitas-M small molecule compound
1-[4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Catalog ID
STK713222
SMILES OC(=O)Cc1ccc(cc1)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 C23H24ClN3O5 MW 457.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN3O5/c24-20-17(26-16-3-1-12(2-4-16)8-18(28)29)11-25-27(21(20)30)23-9-13-5-14(10-23)7-15(6-13)19(23)22(31)32/h1-4,11,13-15,19,26H,5-10H2,(H,28,29)(H,31,32)InChIKey
PVLLIAHTTYWYAE-UHFFFAOYSA-NSynonyms
1024290-87-6(1S2R3S5R7S)1(4((4(carboxymethyl)phenyl)amino)5chloro6oxopyridazin1(6H)yl)adamantane2carboxylicacid
1(4((4(carboxymethyl)phenyl)amino)5chloro6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(4(4(CARBOXYMETHYL)ANILINO)5CHLORO6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1024290876
C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)CC(=O)O)Cl
InChI=1SC23H24ClN3O5c242017(26163112(2416)818(28)29)112527(21(20)30)23913514(1023)715(613)19(23)22(31)32h141113151926H510H2(H2829)(H3132)
MFCD06603106
ZINC000101091422
ZINC000245232169
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