Vitas-M small molecule compound
1-(4-bromophenyl)-2-{[5-(3,4-dimethoxybenzyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK240013
SMILES COc1cc(ccc1OC)Cc1nnc(n1CC)SCC(=O)c1ccc(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 C21H22BrN3O3S MW 476.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O3S/c1-4-25-20(12-14-5-10-18(27-2)19(11-14)28-3)23-24-21(25)29-13-17(26)15-6-8-16(22)9-7-15/h5-11H,4,12-13H2,1-3H3InChIKey
XHACQLPLPGHXQT-UHFFFAOYSA-NSynonyms
1(4bromophenyl)2((5((34dimethoxyphenyl)methyl)4ethyl124triazol3yl)sulfanyl)ethanone
1(4bromophenyl)2((5(34dimethoxybenzyl)4ethyl4H124triazol3yl)sulfanyl)ethanone
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC3=CC(=C(C=C3)OC)OC
InChI=1SC21H22BrN3O3Sc142520(121451018(272)19(1114)283)232421(25)291317(26)156816(22)9715h511H41213H213H3
MFCD08677714
ZINC000009226305
ZINC09226305
ZINC9226305
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