Vitas-M small molecule compound

2-chloro-1-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone

Catalog ID
STK993154
SMILES CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)CCl

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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 C26H29ClN2O3 MW 452.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O3/c1-3-31-21-12-8-18(9-13-21)16-20-6-5-7-23-25(20)28-29(24(30)17-27)26(23)19-10-14-22(15-11-19)32-4-2/h8-16,23,26H,3-7,17H2,1-2H3/b20-16+
InChIKey
KOZISSCPCOFRQW-CAPFRKAQSA-N
Synonyms

2CHLORO1((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)ETHANONE
2chloro1((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)ethanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)CCl
CCOc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)CCl
InChI=1SC26H29ClN2O3c13312112818(91321)16206572325(20)2829(24(30)1727)26(23)19101422(151119)3242h8162326H3717H212H3b2016+
MFCD01627365
ZINC000013305137
ZINC000013305152

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Available files

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