Vitas-M small molecule compound

(2-chlorophenyl){(7E)-7-[4-(dimethylamino)benzylidene]-3-[4-(dimethylamino)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone

Catalog ID
STK089393
SMILES CN(c1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)N(C)C)C(=O)c1ccccc1Cl)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 C31H33ClN4O MW 513.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33ClN4O/c1-34(2)24-16-12-21(13-17-24)20-23-8-7-10-27-29(23)33-36(31(37)26-9-5-6-11-28(26)32)30(27)22-14-18-25(19-15-22)35(3)4/h5-6,9,11-20,27,30H,7-8,10H2,1-4H3/b23-20+
InChIKey
FPCSHFIYAQBJQQ-BSYVCWPDSA-N
Synonyms

(2chlorophenyl)((7E)3(4(dimethylamino)phenyl)7((4(dimethylamino)phenyl)methylidene)3a456tetrahydro3Hindazol2yl)methanone
(2CHLOROPHENYL)((7E)3(4DIMETHYLAMINOPHENYL)7((4DIMETHYLAMINOPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(2chlorophenyl)((7E)7(4(dimethylamino)benzylidene)3(4(dimethylamino)phenyl)33a4567hexahydro2Hindazol2yl)methanone
CN(C)C1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)N(C)C)C(=O)C5=CC=CC=C5Cl
CN(c1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)N(C)C)C(=O)c1ccccc1Cl)C
InChI=1SC31H33ClN4Oc134(2)24161221(131724)202387102729(23)3336(31(37)269561128(26)32)30(27)22141825(191522)35(3)4h56911202730H7810H214H3b2320+
MFCD01416451
STK089393
ZINC000009680407
ZINC000009680412

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Available files

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