Vitas-M small molecule compound

methyl 4-chloro-3-({5-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)carbamoyl]-1,2,4-oxadiazol-3-yl}methyl)benzoate

Catalog ID
STL162642
SMILES COC(=O)c1ccc(c(c1)Cc1noc(n1)C(=O)NCC1COc2c(O1)cccc2)Cl

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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 C21H18ClN3O6 MW 443.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O6/c1-28-21(27)12-6-7-15(22)13(8-12)9-18-24-20(31-25-18)19(26)23-10-14-11-29-16-4-2-3-5-17(16)30-14/h2-8,14H,9-11H2,1H3,(H,23,26)
InChIKey
WZAWTOYQOUNEKW-UHFFFAOYSA-N
Synonyms
1282114-03-7
1282114037
COC(=O)C1=CC(=C(C=C1)Cl)CC2=NOC(=N2)C(=O)NCC3COC4=CC=CC=C4O3
InChI=1SC21H18ClN3O6c12821(27)126715(22)13(812)9182420(312518)19(26)231014112916423517(16)3014h2814H911H21H3(H2326)
methyl4chloro3((5(((23dihydrobenzo(b)(14)dioxin2yl)methyl)carbamoyl)124oxadiazol3yl)methyl)benzoate
methyl4chloro3((5((23dihydro14benzodioxin2ylmethyl)carbamoyl)124oxadiazol3yl)methyl)benzoate
methyl4chloro3((5(23dihydro14benzodioxin3ylmethylcarbamoyl)124oxadiazol3yl)methyl)benzoate
MFCD18796948
ZINC000061718150
ZINC000061718151

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Available files

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