Vitas-M small molecule compound
methyl (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(5-bromofuran-2-yl)carbonyl]amino}prop-2-enoate
Catalog ID
STK382013
SMILES COC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccc(o1)Br
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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 C16H12BrNO6 MW 394.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrNO6/c1-21-16(20)10(18-15(19)12-4-5-14(17)24-12)6-9-2-3-11-13(7-9)23-8-22-11/h2-7H,8H2,1H3,(H,18,19)/b10-6-InChIKey
KZXNTVOZFQLOSZ-POHAHGRESA-NSynonyms
COC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(O3)Br
COC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(o1)Br
InChI=1SC16H12BrNO6c12116(20)10(1815(19)124514(17)2412)69231113(79)2382211h27H8H21H3(H1819)b106
methyl(2Z)3(13benzodioxol5yl)2(((5bromofuran2yl)carbonyl)amino)prop2enoate
METHYL(Z)3(13BENZODIOXOL5YL)2((5BROMOFURAN2CARBONYL)AMINO)PROP2ENOATE
MFCD03649561
ZINC000004526224
ZINC04526224
ZINC4526224
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