Vitas-M small molecule compound
2-{[5-(5-bromo-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethanone
Catalog ID
STK267074
SMILES C=CCn1c(SCC(=O)N2CCN(CC2)C)nnc1c1cc2c(o1)ccc(c2)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 C20H22BrN5O2S MW 476.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN5O2S/c1-3-6-26-19(17-12-14-11-15(21)4-5-16(14)28-17)22-23-20(26)29-13-18(27)25-9-7-24(2)8-10-25/h3-5,11-12H,1,6-10,13H2,2H3InChIKey
AUUUBPMPQDGFIA-UHFFFAOYSA-NSynonyms
2((5(5BROMO1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4METHYLPIPERAZIN1YL)ETHANONE
2((5(5bromo1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)1(4methylpiperazin1yl)ethanone
2(4ALLYL5(5BROMOBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)1(4METHYLPIPERAZIN1YL)ETHANONE
CN1CCN(CC1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Br
InChI=1SC20H22BrN5O2Sc1362619(1712141115(21)4516(14)2817)222320(26)291318(27)259724(2)81025h351112H161013H22H3
MFCD09267727
ZINC000019852392
ZINC19852392
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