Vitas-M small molecule compound
[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(morpholin-4-ylsulfonyl)phenyl]methanone
Catalog ID
STK889271
SMILES CCOc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)OCC)/C2=NN1C(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
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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 C35H39N3O6S MW 629.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N3O6S/c1-3-43-29-14-8-25(9-15-29)24-28-6-5-7-32-33(28)36-38(34(32)26-10-16-30(17-11-26)44-4-2)35(39)27-12-18-31(19-13-27)45(40,41)37-20-22-42-23-21-37/h8-19,24,32,34H,3-7,20-23H2,1-2H3/b28-24+InChIKey
WOPZMBZJXRGPQB-ZZIIXHQDSA-NSynonyms
((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4MORPHOLIN4YLSULFONYLPHENYL)METHANONE
((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)(4(morpholin4ylsulfonyl)phenyl)methanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6
CCOc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)OCC)C2=NN1C(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
InChI=1SC35H39N3O6Sc13432914825(91529)24286573233(28)3638(34(32)26101630(171126)4442)35(39)27121831(191327)45(4041)37202242232137h819243234H372023H212H3b2824+
MFCD03489664
ZINC000097965249
ZINC000097965252
Check stock
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Check stock on Vitas-MAvailable files
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