Vitas-M small molecule compound
2-({1-[4-(benzyloxy)-3-methoxyphenyl]-2-methoxy-2-oxoethyl}carbamoyl)cyclohex-1-ene-1-carboxylic acid
Catalog ID
STK062859
SMILES COC(=O)C(c1ccc(c(c1)OC)OCc1ccccc1)NC(=O)C1=C(CCCC1)C(=O)O
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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 C25H27NO7 MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO7/c1-31-21-14-17(12-13-20(21)33-15-16-8-4-3-5-9-16)22(25(30)32-2)26-23(27)18-10-6-7-11-19(18)24(28)29/h3-5,8-9,12-14,22H,6-7,10-11,15H2,1-2H3,(H,26,27)(H,28,29)InChIKey
JHSZCZPECRNZLH-UHFFFAOYSA-NSynonyms
2((1(4(BENZYLOXY)3METHOXYPHENYL)2METHOXY2OXOETHYL)CARBAMOYL)CYCLOHEX1ENE1CARBOXYLICACID
2((2METHOXY1(3METHOXY4PHENYLMETHOXYPHENYL)2OXOETHYL)CARBAMOYL)CYCLOHEXENE1CARBOXYLICACID
COC(=O)C(c1ccc(c(c1)OC)OCc1ccccc1)NC(=O)C1=C(CCCC1)C(=O)O
COC1=C(C=CC(=C1)C(C(=O)OC)NC(=O)C2=C(CCCC2)C(=O)O)OCC3=CC=CC=C3
InChI=1SC25H27NO7c131211417(121320(21)3315168435916)22(25(30)322)2623(27)1810671119(18)24(28)29h3589121422H67101115H212H3(H2627)(H2829)
MFCD08051624
STK062859
ZINC000009553656
ZINC000009553657
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