Vitas-M small molecule compound
3-(3,4,5-trimethoxyphenyl)-1-[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]propan-1-one
Catalog ID
STL562500
SMILES COc1cc(CCC(=O)n2nc(c3c2C[C@@H]2[C@H]3C2(C)C)C)cc(c1OC)OC
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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 C22H28N2O4 MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4/c1-12-19-15(11-14-20(19)22(14,2)3)24(23-12)18(25)8-7-13-9-16(26-4)21(28-6)17(10-13)27-5/h9-10,14,20H,7-8,11H2,1-6H3/t14-,20-/m1/s1InChIKey
CBLRPGQIARSWER-JLTOFOAXSA-NSynonyms
445471-96-51795458
3(345trimethoxyphenyl)1((2S4R)339trimethyl78diazatricyclo(430024)nona1(6)8dien7yl)propan1one
3(345trimethoxyphenyl)1((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazol1yl)propan1one
445471965
COc1cc(CCC(=O)n2nc(c3c2C(C@@H)2(C@H)3C2(C)C)C)cc(c1OC)OC
InChI=1SC22H28N2O4c1121915(111420(19)22(142)3)24(2312)18(25)8713916(264)21(286)17(1013)275h9101420H7811H216H3t1420m1s1
MFCD32651277
ZINC000002139756
Check stock
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Check stock on Vitas-MAvailable files
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