Vitas-M small molecule compound
4-{5-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Catalog ID
STK650802
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nnnn1c1ccc(cc1)C(=O)O
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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 C19H16N4O5S MW 412.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O5S/c1-27-14-7-11-8-16(17(24)13(11)9-15(14)28-2)29-19-20-21-22-23(19)12-5-3-10(4-6-12)18(25)26/h3-7,9,16H,8H2,1-2H3,(H,25,26)InChIKey
LYKOVBQWCGIWIE-UHFFFAOYSA-NSynonyms
1144448-43-01144448430
4(5((56dimethoxy1oxo23dihydro1Hinden2yl)sulfanyl)1Htetrazol1yl)benzoicacid
4(5((56dimethoxy1oxo23dihydro1Hinden2yl)thio)1Htetrazol1yl)benzoicacid
4(5((56dimethoxy3oxo12dihydroinden2yl)sulfanyl)tetrazol1yl)benzoicacid
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=NN3C4=CC=C(C=C4)C(=O)O)OC
InChI=1SC19H16N4O5Sc12714711816(17(24)13(11)915(14)282)291920212223(19)125310(4612)18(25)26h37916H8H212H3(H2526)
MFCD12215806
ZINC000032096654
ZINC000032096656
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