Vitas-M small molecule compound
6-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK478951
SMILES COc1cccc(c1)CN1CCN(CC1)C(=O)C1CC(=C(CC1C(=O)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 C22H30N2O4 MW 386.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O4/c1-15-11-19(20(22(26)27)12-16(15)2)21(25)24-9-7-23(8-10-24)14-17-5-4-6-18(13-17)28-3/h4-6,13,19-20H,7-12,14H2,1-3H3,(H,26,27)InChIKey
NMRKHYOCKIUMBD-UHFFFAOYSA-NSynonyms
6((4((3METHOXYPHENYL)METHYL)PIPERAZINYL)CARBONYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
6((4(3methoxybenzyl)piperazin1yl)carbonyl)34dimethylcyclohex3ene1carboxylicacid
6(4((3METHOXYPHENYL)METHYL)PIPERAZINE1CARBONYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
CC1=C(CC(C(C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)O)C
InChI=1SC22H30N2O4c1151119(20(22(26)27)1216(15)2)21(25)249723(81024)141754618(1317)283h46131920H71214H213H3(H2627)
MFCD06063545
ZINC000006727037
ZINC000006727040
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