Vitas-M small molecule compound
{(7E)-7-[4-(dimethylamino)benzylidene]-3-[4-(dimethylamino)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}[4-(morpholin-4-yl)-3-nitrophenyl]methanone
Catalog ID
STK889192
SMILES O=C(N1N=C2C(C1c1ccc(cc1)N(C)C)CCC/C/2=C\c1ccc(cc1)N(C)C)c1ccc(c(c1)[N+](=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 C35H40N6O4 MW 608.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N6O4/c1-37(2)28-13-8-24(9-14-28)22-26-6-5-7-30-33(26)36-40(34(30)25-10-15-29(16-11-25)38(3)4)35(42)27-12-17-31(32(23-27)41(43)44)39-18-20-45-21-19-39/h8-17,22-23,30,34H,5-7,18-21H2,1-4H3/b26-22+InChIKey
MCJOCINLOZBLBP-XTCLZLMSSA-NSynonyms
((7E)3(4(dimethylamino)phenyl)7((4(dimethylamino)phenyl)methylidene)3a456tetrahydro3Hindazol2yl)(4morpholin4yl3nitrophenyl)methanone
((7E)3(4DIMETHYLAMINOPHENYL)7((4DIMETHYLAMINOPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4MORPHOLIN4YL3NITROPHENYL)METHANONE
((7E)7(4(dimethylamino)benzylidene)3(4(dimethylamino)phenyl)33a4567hexahydro2Hindazol2yl)(4(morpholin4yl)3nitrophenyl)methanone
CN(C)C1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)N(C)C)C(=O)C5=CC(=C(C=C5)N6CCOCC6)(N+)(=O)(O)
InChI=1SC35H40N6O4c137(2)2813824(91428)22266573033(26)3640(34(30)25101529(161125)38(3)4)35(42)27121731(32(2327)41(43)44)39182045211939h81722233034H571821H214H3b2622+
MFCD02699432
O=C(N1N=C2C(C1c1ccc(cc1)N(C)C)CCCC2=Cc1ccc(cc1)N(C)C)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1
ZINC000029491846
ZINC000102968018
Check stock
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