Vitas-M small molecule compound
2-chloro-1-[(7E)-3-(4-methoxyphenyl)-7-(naphthalen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STK993781
SMILES COc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc2c(c1)cccc2)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 C27H25ClN2O2 MW 444.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O2/c1-32-23-13-11-20(12-14-23)27-24-8-4-7-22(26(24)29-30(27)25(31)17-28)16-18-9-10-19-5-2-3-6-21(19)15-18/h2-3,5-6,9-16,24,27H,4,7-8,17H2,1H3/b22-16+InChIKey
YMPWDTWLFDTFJD-CJLVFECKSA-NSynonyms
2chloro1((7E)3(4methoxyphenyl)7(naphthalen2ylmethylidene)33a4567hexahydro2Hindazol2yl)ethanone
2chloro1((7E)3(4methoxyphenyl)7(naphthalen2ylmethylidene)3a456tetrahydro3Hindazol2yl)ethanone
COC1=CC=C(C=C1)C2C3CCCC(=CC4=CC5=CC=CC=C5C=C4)C3=NN2C(=O)CCl
COc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc2c(c1)cccc2)C(=O)CCl
InChI=1SC27H25ClN2O2c13223131120(121423)272484722(26(24)2930(27)25(31)1728)161891019523621(19)1518h23569162427H47817H21H3b2216+
MFCD18185032
ZINC000051330557
ZINC000051330562
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