Vitas-M small molecule compound
1-{3,5-bis[(4-ethylbenzyl)amino]-1H-1,2,4-triazol-1-yl}propan-1-one
Catalog ID
STK169911
SMILES CCc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)CC)C(=O)CC
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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 C23H29N5O MW 391.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O/c1-4-17-7-11-19(12-8-17)15-24-22-26-23(28(27-22)21(29)6-3)25-16-20-13-9-18(5-2)10-14-20/h7-14H,4-6,15-16H2,1-3H3,(H2,24,25,26,27)InChIKey
OPCJSGGUOZPRQB-UHFFFAOYSA-NSynonyms
1(35BIS((4ETHYLBENZYL)AMINO)1H124TRIAZOL1YL)PROPAN1ONE
1(35BIS((4ETHYLPHENYL)METHYLAMINO)124TRIAZOL1YL)PROPAN1ONE
CCC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)CC)C(=O)CC
InChI=1SC23H29N5Oc141771119(12817)1524222623(28(2722)21(29)63)25162013918(52)101420h714H461516H213H3(H224252627)
MFCD06632448
ZINC000001070653
ZINC01070653
ZINC1070653
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