Vitas-M small molecule compound
5,6-dimethoxy-2-{[1-(naphthalen-1-yl)-1H-tetrazol-5-yl]sulfanyl}-2,3-dihydro-1H-inden-1-one
Catalog ID
STK658198
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nnnn1c1cccc2c1cccc2
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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 C22H18N4O3S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-28-18-10-14-11-20(21(27)16(14)12-19(18)29-2)30-22-23-24-25-26(22)17-9-5-7-13-6-3-4-8-15(13)17/h3-10,12,20H,11H2,1-2H3InChIKey
YHSWEWMMPQRKMK-UHFFFAOYSA-NSynonyms
1144442-50-11144442501
56dimethoxy2((1(naphthalen1yl)1Htetrazol5yl)sulfanyl)23dihydro1Hinden1one
56dimethoxy2((1(naphthalen1yl)1Htetrazol5yl)thio)23dihydro1Hinden1one
56dimethoxy2(1naphthalen1yltetrazol5yl)sulfanyl23dihydroinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=NN3C4=CC=CC5=CC=CC=C54)OC
InChI=1SC22H18N4O3Sc1281810141120(21(27)16(14)1219(18)292)302223242526(22)1795713634815(13)17h3101220H11H212H3
MFCD12217936
ZINC000032104520
ZINC000032104522
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