Vitas-M small molecule compound
3-{[1-(1,3-benzodioxol-5-yl)ethyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK475483
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)NC(c1ccc2c(c1)OCO2)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 C17H17NO6 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO6/c1-8(9-2-3-10-13(6-9)23-7-22-10)18-16(19)14-11-4-5-12(24-11)15(14)17(20)21/h2-6,8,11-12,14-15H,7H2,1H3,(H,18,19)(H,20,21)InChIKey
GYMUAMRCBNXAOE-UHFFFAOYSA-NSynonyms
2(1(13benzodioxol5yl)ethylcarbamoyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((1(13benzodioxol5yl)ethyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(2HBENZO(34D)13DIOXOLEN5YLETHYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3C4C=CC(C3C(=O)O)O4
InChI=1SC17H17NO6c18(9231013(69)2372210)1816(19)14114512(2411)15(14)17(20)21h26811121415H7H21H3(H1819)(H2021)
MFCD06066573
ZINC000245227417
ZINC000245227423
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