Vitas-M small molecule compound
2-{[5-(4-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK652320
SMILES C=CCn1c(nnc1c1ccc(cc1)Br)SC1Cc2c(C1=O)cc(c(c2)OC)OC
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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 C22H20BrN3O3S MW 486.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O3S/c1-4-9-26-21(13-5-7-15(23)8-6-13)24-25-22(26)30-19-11-14-10-17(28-2)18(29-3)12-16(14)20(19)27/h4-8,10,12,19H,1,9,11H2,2-3H3InChIKey
QSLATWZLXKKLBT-UHFFFAOYSA-NSynonyms
1144460-45-61144460456
2((4allyl5(4bromophenyl)4H124triazol3yl)thio)56dimethoxy23dihydro1Hinden1one
2((5(4bromophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((5(4bromophenyl)4prop2enyl124triazol3yl)sulfanyl)56dimethoxy23dihydroinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3CC=C)C4=CC=C(C=C4)Br)OC
InChI=1SC22H20BrN3O3Sc1492621(135715(23)8613)242522(26)301911141017(282)18(293)1216(14)20(19)27h48101219H1911H223H3
MFCD12214176
ZINC000032093016
ZINC000032093018
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