Vitas-M small molecule compound
3-benzyl-4,8-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
Catalog ID
STK717579
SMILES O=c1oc2c(C)c(OCc3nnn[nH]3)ccc2c(c1Cc1ccccc1)C
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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 C20H18N4O3 MW 362.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3/c1-12-15-8-9-17(26-11-18-21-23-24-22-18)13(2)19(15)27-20(25)16(12)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,21,22,23,24)InChIKey
STBUDKIRLAIWSI-UHFFFAOYSA-NSynonyms
862116-28-73benzyl48dimethyl7(1Htetrazol5ylmethoxy)2Hchromen2one
3BENZYL48DIMETHYL7(2HTETRAZOL5YLMETHOXY)CHROMEN2ONE
7((2Htetrazol5yl)methoxy)3benzyl48dimethyl2Hchromen2one
862116287
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=NNN=N3)CC4=CC=CC=C4
InChI=1SC20H18N4O3c112158917(2611182123242218)13(2)19(15)2720(25)16(12)10146435714h39H1011H212H3(H21222324)
MFCD10041091
O=c1oc2c(C)c(OCc3n(nH)nn3)ccc2c(c1Cc1ccccc1)C
O=c1oc2c(C)c(OCc3nnn(nH)3)ccc2c(c1Cc1ccccc1)C
ZINC000013115579
ZINC13115579
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