Vitas-M small molecule compound

(3E)-4-[3-(4-fluorophenyl)-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]pent-3-en-2-one

Catalog ID
STK767974
SMILES COc1ccc2c(c1)C1=NN(C(C1CC2)c1ccc(cc1)F)/C(=C/C(=O)C)/C

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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 C23H23FN2O2 MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23FN2O2/c1-14(12-15(2)27)26-23(17-4-8-18(24)9-5-17)20-11-7-16-6-10-19(28-3)13-21(16)22(20)25-26/h4-6,8-10,12-13,20,23H,7,11H2,1-3H3/b14-12+
InChIKey
LXNDLNJERAGOBV-WYMLVPIESA-N
Synonyms

(3E)4(3(4FLUOROPHENYL)8METHOXY33A45TETRAHYDRO2HBENZO(G)INDAZOL2YL)3PENTEN2ONE
(3E)4(3(4fluorophenyl)8methoxy33a45tetrahydro2Hbenzo(g)indazol2yl)pent3en2one
(E)4(3(4FLUOROPHENYL)8METHOXY33A45TETRAHYDROBENZO(G)INDAZOL2YL)PENT3EN2ONE
4(3(4FLUOROPHENYL)8METHOXY33A45TETRAHYDRO2HBENZO(G)INDAZOL2YL)3PENTEN2ONE
4(3(4FLUOROPHENYL)8METHOXY33A45TETRAHYDROBENZO(G)INDAZOL2YL)PENT3EN2ONE
CC(=CC(=O)C)N1C(C2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=C(C=C4)F
COc1ccc2c(c1)C1=NN(C(C1CC2)c1ccc(cc1)F)C(=CC(=O)C)C
InChI=1SC23H23FN2O2c114(1215(2)27)2623(174818(24)9517)201171661019(283)1321(16)22(20)2526h4681012132023H711H213H3b1412+
MFCD01563981
ZINC000004577965
ZINC000004577975

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.