Vitas-M small molecule compound
2-{[1-(4-bromophenyl)-1H-tetrazol-5-yl]sulfanyl}-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK652972
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nnnn1c1ccc(cc1)Br
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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 C18H15BrN4O3S MW 447.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN4O3S/c1-25-14-7-10-8-16(17(24)13(10)9-15(14)26-2)27-18-20-21-22-23(18)12-5-3-11(19)4-6-12/h3-7,9,16H,8H2,1-2H3InChIKey
GGRLXTVCSSNSCE-UHFFFAOYSA-NSynonyms
1144433-38-41144433384
2((1(4bromophenyl)1Htetrazol5yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((1(4bromophenyl)1Htetrazol5yl)thio)56dimethoxy23dihydro1Hinden1one
2(1(4bromophenyl)tetrazol5yl)sulfanyl56dimethoxy23dihydroinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=NN3C4=CC=C(C=C4)Br)OC
InChI=1SC18H15BrN4O3Sc12514710816(17(24)13(10)915(14)262)271820212223(18)125311(19)4612h37916H8H212H3
MFCD12214247
ZINC000032093166
ZINC000032093168
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