Vitas-M small molecule compound
6-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-(3-chlorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Catalog ID
STL082341
SMILES Clc1cccc(c1)Cn1nnc2c1ncn(c2=O)Cc1onc(n1)c1ccc2c(c1)OCO2
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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 C21H14ClN7O4 MW 463.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN7O4/c22-14-3-1-2-12(6-14)8-29-20-18(25-27-29)21(30)28(10-23-20)9-17-24-19(26-33-17)13-4-5-15-16(7-13)32-11-31-15/h1-7,10H,8-9,11H2InChIKey
GTXFACYAYYWHDG-UHFFFAOYSA-NSynonyms
1040639-08-41040639084
6((3(13benzodioxol5yl)124oxadiazol5yl)methyl)3((3chlorophenyl)methyl)triazolo(45d)pyrimidin7one
6((3(13benzodioxol5yl)124oxadiazol5yl)methyl)3(3chlorobenzyl)36dihydro7H(123)triazolo(45d)pyrimidin7one
6((3(BENZO(D)(13)DIOXOL5YL)124OXADIAZOL5YL)METHYL)3(3CHLOROBENZYL)3H(123)TRIAZOLO(45D)PYRIMIDIN7(6H)ONE
C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)CN4C=NC5=C(C4=O)N=NN5CC6=CC(=CC=C6)Cl
InChI=1SC21H14ClN7O4c221431212(614)8292018(252729)21(30)28(102320)9172419(263317)13451516(713)32113115h1710H8911H2
MFCD11997230
ZINC000016845455
ZINC16845455
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