Vitas-M small molecule compound
N-[(2S)-1-{[2-(4-methoxyphenyl)ethyl]amino}-1-oxopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Catalog ID
STK717473
SMILES COc1ccc(cc1)CCNC(=O)[C@@H](NC(=O)C1COc2c(O1)cccc2)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 C21H24N2O5 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5/c1-14(20(24)22-12-11-15-7-9-16(26-2)10-8-15)23-21(25)19-13-27-17-5-3-4-6-18(17)28-19/h3-10,14,19H,11-13H2,1-2H3,(H,22,24)(H,23,25)/t14-,19?/m0/s1InChIKey
IMKYCLDGPPTZEB-KTQQKIMGSA-NSynonyms
1013820-18-21013820182
CC(C(=O)NCCC1=CC=C(C=C1)OC)NC(=O)C2COC3=CC=CC=C3O2
COc1ccc(cc1)CCNC(=O)(C@@H)(NC(=O)C1COc2c(O1)cccc2)C
InChI=1SC21H24N2O5c114(20(24)221211157916(262)10815)2321(25)19132717534618(17)2819h3101419H1113H212H3(H2224)(H2325)t1419?m0s1
MFCD10488984
N((2S)1((2(4methoxyphenyl)ethyl)amino)1oxopropan2yl)23dihydro14benzodioxine2carboxamide
N((2S)1(2(4methoxyphenyl)ethylamino)1oxopropan2yl)23dihydro14benzodioxine3carboxamide
N((S)1((4methoxyphenethyl)amino)1oxopropan2yl)23dihydrobenzo(b)(14)dioxine2carboxamide
ZINC000013722651
ZINC000013722655
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