Vitas-M small molecule compound
N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
Catalog ID
STK117743
SMILES COc1cc(ccc1OC)C(=O)NCc1nnc(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 C22H23BrN4O4S MW 519.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN4O4S/c1-4-27-20(12-24-21(29)15-7-10-18(30-2)19(11-15)31-3)25-26-22(27)32-13-17(28)14-5-8-16(23)9-6-14/h5-11H,4,12-13H2,1-3H3,(H,24,29)InChIKey
WBYVCEOUCWXGPY-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC(=C(C=C3)OC)OC
InChI=1SC22H23BrN4O4Sc142720(122421(29)1571018(302)19(1115)313)252622(27)321317(28)145816(23)9614h511H41213H213H3(H2429)
MFCD04128025
N((5((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
N((5(2(4BROMOPHENYL)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
ZINC000001111443
ZINC01111443
ZINC1111443
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