Vitas-M small molecule compound
2-{[4-cyclopropyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK650094
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nnc(n1C1CC1)c1ccco1
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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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-25-15-8-11-9-17(18(24)13(11)10-16(15)26-2)28-20-22-21-19(14-4-3-7-27-14)23(20)12-5-6-12/h3-4,7-8,10,12,17H,5-6,9H2,1-2H3InChIKey
HRANCDYVASAVMK-UHFFFAOYSA-NSynonyms
1144474-78-11144474781
2((4cyclopropyl5(furan2yl)124triazol3yl)sulfanyl)56dimethoxy23dihydroinden1one
2((4cyclopropyl5(furan2yl)4H124triazol3yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((4cyclopropyl5(furan2yl)4H124triazol3yl)thio)56dimethoxy23dihydro1Hinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4CC4)C5=CC=CO5)OC
InChI=1SC20H19N3O4Sc12515811917(18(24)13(11)1016(15)262)2820222119(144372714)23(20)125612h3478101217H569H212H3
MFCD12218387
ZINC000032105764
ZINC000032105767
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