Vitas-M small molecule compound
2-azido-1-[(7Z)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STK993784
SMILES [N-]=[N+]=NCC(=O)N1N=C2C(C1c1ccc(cc1)OCC)CCC/C/2=C/c1ccc(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 C26H29N5O3 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O3/c1-3-33-21-12-8-18(9-13-21)16-20-6-5-7-23-25(20)29-31(24(32)17-28-30-27)26(23)19-10-14-22(15-11-19)34-4-2/h8-16,23,26H,3-7,17H2,1-2H3/b20-16-InChIKey
LYYLCDGJQSYBOM-SILNSSARSA-NSynonyms
(N)=(N+)=NCC(=O)N1N=C2C(C1c1ccc(cc1)OCC)CCCC2=Cc1ccc(cc1)OCC
2azido1((7Z)3(4ethoxyphenyl)7((4ethoxyphenyl)methylidene)3a456tetrahydro3Hindazol2yl)ethanone
2azido1((7Z)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)ethanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)CN=(N+)=(N)
InChI=1SC26H29N5O3c13332112818(91321)16206572325(20)2931(24(32)17283027)26(23)19101422(151119)3442h8162326H3717H212H3b2016
MFCD18185034
ZINC000097965269
ZINC000097965272
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