Vitas-M small molecule compound
1-(4-bromophenyl)-2-{[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK137764
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1Cc1ccc(cc1)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 C21H20BrN3O2S MW 458.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O2S/c1-3-12-25-20(13-15-4-10-18(27-2)11-5-15)23-24-21(25)28-14-19(26)16-6-8-17(22)9-7-16/h3-11H,1,12-14H2,2H3InChIKey
BXIGBFLXKUNDOI-UHFFFAOYSA-NSynonyms
1(4BROMOPHENYL)2((5((4METHOXYPHENYL)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BROMOPHENYL)2((5(4METHOXYBENZYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)Br
InChI=1SC21H20BrN3O2Sc13122520(131541018(272)11515)232421(25)281419(26)166817(22)9716h311H11214H22H3
MFCD04391297
ZINC000002858324
ZINC02858324
ZINC2858324
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