Vitas-M small molecule compound
6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]quinoline-4-carboxamide
Catalog ID
STK333692
SMILES CCc1ccc(s1)c1nc2ccc(cc2c(c1)C(=O)Nc1ccn(n1)C12CC3CC(C2)CC(C1)C3)Cl
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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 C29H29ClN4OS MW 517.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN4OS/c1-2-21-4-6-26(36-21)25-13-23(22-12-20(30)3-5-24(22)31-25)28(35)32-27-7-8-34(33-27)29-14-17-9-18(15-29)11-19(10-17)16-29/h3-8,12-13,17-19H,2,9-11,14-16H2,1H3,(H,32,33,35)InChIKey
BRGIICFMGVAGIP-UHFFFAOYSA-NSynonyms
6chloro2(5ethylthiophen2yl)N(1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)quinoline4carboxamide
CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=NN(C=C4)C56CC7CC(C5)CC(C7)C6
InChI=1SC29H29ClN4OSc12214626(3621)251323(221220(30)3524(22)3125)28(35)32277834(3327)291417918(1529)1119(1017)1629h3812131719H29111416H21H3(H323335)
MFCD03942929
N(1(1ADAMANTYL)PYRAZOL3YL)6CHLORO2(5ETHYLTHIOPHEN2YL)QUINOLINE4CARBOXAMIDE
N(1ADAMANTANYLPYRAZOL3YL)(6CHLORO2(5ETHYL(2THIENYL))(4QUINOLYL))CARBOXAMIDE
ZINC000018196177
ZINC18196177
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