Vitas-M small molecule compound
3-hexyl-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
Catalog ID
STL226573
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2)OCc1nnn[nH]1
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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 C18H22N4O3 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3/c1-3-4-5-6-7-15-12(2)14-9-8-13(10-16(14)25-18(15)23)24-11-17-19-21-22-20-17/h8-10H,3-7,11H2,1-2H3,(H,19,20,21,22)InChIKey
DYUYXHMXZKQJFW-UHFFFAOYSA-NSynonyms
861147-66-23hexyl4methyl7(1Htetrazol5ylmethoxy)2Hchromen2one
3HEXYL4METHYL7(2HTETRAZOL5YLMETHOXY)CHROMEN2ONE
7((2Htetrazol5yl)methoxy)3hexyl4methyl2Hchromen2one
861147662
CCCCCCC1=C(C2=C(C=C(C=C2)OCC3=NNN=N3)OC1=O)C
CCCCCCc1c(=O)oc2c(c1C)ccc(c2)OCc1n(nH)nn1
CCCCCCc1c(=O)oc2c(c1C)ccc(c2)OCc1nnn(nH)1
InChI=1SC18H22N4O3c1345671512(2)149813(1016(14)2518(15)23)2411171921222017h810H3711H212H3(H19202122)
MFCD10041095
ZINC000013804391
ZINC13804391
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