Vitas-M small molecule compound
(2E)-3-(4-chlorophenyl)-1-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]prop-2-en-1-one
Catalog ID
STK889066
SMILES Clc1ccc(cc1)/C=C/C(=O)N1N=C2C(C1c1ccco1)CCC/C/2=C\c1ccco1
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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 C25H21ClN2O3 MW 432.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O3/c26-19-11-8-17(9-12-19)10-13-23(29)28-25(22-7-3-15-31-22)21-6-1-4-18(24(21)27-28)16-20-5-2-14-30-20/h2-3,5,7-16,21,25H,1,4,6H2/b13-10+,18-16+InChIKey
CJQKVTCNZNGYMR-JODANDAUSA-NSynonyms
(2E)3(4chlorophenyl)1((7E)3(furan2yl)7(furan2ylmethylidene)33a4567hexahydro2Hindazol2yl)prop2en1one
(E)3(4CHLOROPHENYL)1((7E)3(FURAN2YL)7(FURAN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)PROP2EN1ONE
C1CC2C(N(N=C2C(=CC3=CC=CO3)C1)C(=O)C=CC4=CC=C(C=C4)Cl)C5=CC=CO5
Clc1ccc(cc1)C=CC(=O)N1N=C2C(C1c1ccco1)CCCC2=Cc1ccco1
InChI=1SC25H21ClN2O3c261911817(91219)101323(29)2825(2273153122)2161418(24(21)2728)162052143020h2357162125H146H2b1310+1816+
MFCD01627420
ZINC000015905958
ZINC000015905961
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