Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Catalog ID
STK879461
SMILES COc1ccc(cc1)n1nnc2c1ncn(c2=O)CC(=O)NCc1ccc2c(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 C21H18N6O5 MW 434.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O5/c1-30-15-5-3-14(4-6-15)27-20-19(24-25-27)21(29)26(11-23-20)10-18(28)22-9-13-2-7-16-17(8-13)32-12-31-16/h2-8,11H,9-10,12H2,1H3,(H,22,28)InChIKey
JIWARPMZXRWFOT-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC5=C(C=C4)OCO5)N=N2
InChI=1SC21H18N6O5c130155314(4615)272019(242527)21(29)26(112320)1018(28)22913271617(813)32123116h2811H91012H21H3(H2228)
MFCD04471253
N(13benzodioxol5ylmethyl)2(3(4methoxyphenyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
N(13benzodioxol5ylmethyl)2(3(4methoxyphenyl)7oxotriazolo(45d)pyrimidin6yl)acetamide
ZINC000009857668
ZINC09857668
ZINC9857668
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