Vitas-M small molecule compound
3-[5-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Catalog ID
STK713211
SMILES COc1cc(CCNc2cnn(c(=O)c2Cl)C23CC4CC(C2)CC(C3)(C4)C(=O)O)ccc1OC
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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 C25H30ClN3O5 MW 487.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30ClN3O5/c1-33-19-4-3-15(8-20(19)34-2)5-6-27-18-13-28-29(22(30)21(18)26)25-11-16-7-17(12-25)10-24(9-16,14-25)23(31)32/h3-4,8,13,16-17,27H,5-7,9-12,14H2,1-2H3,(H,31,32)InChIKey
DYUGNECLEKFVCV-UHFFFAOYSA-NSynonyms
900256-06-6(1r3s5R7S)3(5chloro4((34dimethoxyphenethyl)amino)6oxopyridazin1(6H)yl)adamantane1carboxylicacid
3(5chloro4((2(34dimethoxyphenyl)ethyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane1carboxylicacid
3(5CHLORO4(2(34DIMETHOXYPHENYL)ETHYLAMINO)6OXOPYRIDAZIN1YL)ADAMANTANE1CARBOXYLICACID
900256066
COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl)OC
InChI=1SC25H30ClN3O5c133194315(820(19)342)562718132829(22(30)21(18)26)251116717(1225)1024(9161425)23(31)32h34813161727H5791214H212H3(H3132)
MFCD06591735
ZINC000101257212
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