Vitas-M small molecule compound
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(6-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
Catalog ID
STL448009
SMILES COc1ccc2c(c1)[nH]cc2CCN/C(=N/C(=O)CN1CCN(CC1)c1ccc(cc1)F)/Nc1nc(C)cc(n1)C
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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 C30H35FN8O2 MW 558.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35FN8O2/c1-20-16-21(2)35-30(34-20)37-29(32-11-10-22-18-33-27-17-25(41-3)8-9-26(22)27)36-28(40)19-38-12-14-39(15-13-38)24-6-4-23(31)5-7-24/h4-9,16-18,33H,10-15,19H2,1-3H3,(H2,32,34,35,36,37,40)InChIKey
HMSDANBBMAGKNP-UHFFFAOYSA-NSynonyms
(E)N((46DIMETHYLPYRIMIDIN2YLAMINO)(2(6METHOXY1HINDOL3YL)ETHYLAMINO)METHYLENE)2(4(4FLUOROPHENYL)PIPERAZIN1YL)ACETAMIDE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=CC(=C3)OC)NC(=O)CN4CCN(CC4)C5=CC=C(C=C5)F)C
COc1ccc2c(c1)(nH)cc2CCNC(=NC(=O)CN1CCN(CC1)c1ccc(cc1)F)Nc1nc(C)cc(n1)C
InChI=1SC30H35FN8O2c1201621(2)3530(3420)3729(321110221833271725(413)8926(22)27)3628(40)1938121439(151338)246423(31)5724h49161833H101519H213H3(H2323435363740)
MFCD30712961
N((Z)((46dimethylpyrimidin2yl)amino)((2(6methoxy1Hindol3yl)ethyl)amino)methylidene)2(4(4fluorophenyl)piperazin1yl)acetamide
N(N(46dimethylpyrimidin2yl)N(2(6methoxy1Hindol3yl)ethyl)carbamimidoyl)2(4(4fluorophenyl)piperazin1yl)acetamide
ZINC000035999826
ZINC35999826
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.