Vitas-M small molecule compound
(2E)-1-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(3-nitrophenyl)prop-2-en-1-one
Catalog ID
STK889223
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
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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 C33H33N3O5 MW 551.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O5/c1-3-40-28-16-11-24(12-17-28)21-26-8-6-10-30-32(26)34-35(33(30)25-14-18-29(19-15-25)41-4-2)31(37)20-13-23-7-5-9-27(22-23)36(38)39/h5,7,9,11-22,30,33H,3-4,6,8,10H2,1-2H3/b20-13+,26-21+InChIKey
DMGUHELCQUBQIA-ZKMJCOJVSA-NSynonyms
(2E)1((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)3(3nitrophenyl)prop2en1one
(E)1((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)3(3NITROPHENYL)PROP2EN1ONE
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C=CC5=CC(=CC=C5)(N+)(=O)(O)
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC33H33N3O5c134028161124(121728)212686103032(26)3435(33(30)25141829(191525)4142)31(37)20132375927(2223)36(38)39h57911223033H346810H212H3b2013+2621+
MFCD03489611
ZINC000102928587
ZINC000102960856
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.