Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
Catalog ID
STK178990
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])NCc1ccc(cc1)OCC
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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 C29H30N6O5 MW 542.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N6O5/c1-3-39-25-13-8-22(9-14-25)19-30-28-32-29(31-20-23-10-15-26(16-11-23)40-4-2)34(33-28)27(36)17-12-21-6-5-7-24(18-21)35(37)38/h5-18H,3-4,19-20H2,1-2H3,(H2,30,31,32,33)/b17-12+InChIKey
PTLOLDGTMSCSJY-SFQUDFHCSA-NSynonyms
(2E)1(35BIS((4ETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(3NITROPHENYL)PROP2EN1ONE
(E)1(35bis((4ethoxyphenyl)methylamino)124triazol1yl)3(3nitrophenyl)prop2en1one
CCOC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OCC)C(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O)
CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)C=Cc1cccc(c1)(N+)(=O)(O))NCc1ccc(cc1)OCC
InChI=1SC29H30N6O5c13392513822(91425)1930283229(312023101526(161123)4042)34(3328)27(36)17122165724(1821)35(37)38h518H341920H212H3(H230313233)b1712+
MFCD06664052
ZINC000101700549
ZINC101700549
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