Vitas-M small molecule compound
(2E)-3-(4-methoxyphenyl)-1-{5-[(4-methylbenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}prop-2-en-1-one
Catalog ID
STK222355
SMILES COc1ccc(cc1)/C=C/C(=O)n1nc(nc1NCc1ccc(cc1)C)c1cccnc1
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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 C25H23N5O2 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O2/c1-18-5-7-20(8-6-18)16-27-25-28-24(21-4-3-15-26-17-21)29-30(25)23(31)14-11-19-9-12-22(32-2)13-10-19/h3-15,17H,16H2,1-2H3,(H,27,28,29)/b14-11+InChIKey
HCQPSXAYHJEIHK-SDNWHVSQSA-NSynonyms
(2E)3(4METHOXYPHENYL)1(5((4METHYLBENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)PROP2EN1ONE
(E)3(4methoxyphenyl)1(5((4methylphenyl)methylamino)3pyridin3yl124triazol1yl)prop2en1one
CC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC=C(C=C3)OC)C4=CN=CC=C4
COc1ccc(cc1)C=CC(=O)n1nc(nc1NCc1ccc(cc1)C)c1cccnc1
InChI=1SC25H23N5O2c1185720(8618)1627252824(214315261721)2930(25)23(31)14111991222(322)131019h31517H16H212H3(H272829)b1411+
MFCD08671725
ZINC000010060268
ZINC10060268
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