Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK303007
SMILES Fc1ccc(cc1)n1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1nn(c(c1Br)C)C
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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 C27H28BrFN6O3S2 MW 647.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrFN6O3S2/c1-14(2)38-26(37)21-18-7-5-6-8-19(18)40-25(21)30-20(36)13-39-27-32-31-24(23-22(28)15(3)34(4)33-23)35(27)17-11-9-16(29)10-12-17/h9-12,14H,5-8,13H2,1-4H3,(H,30,36)InChIKey
NPLJGRVCGQYSFL-UHFFFAOYSA-NSynonyms
1005672-64-91005672649
CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C)Br
InChI=1SC27H28BrFN6O3S2c114(2)3826(37)2118756819(18)4025(21)3020(36)133927323124(2322(28)15(3)34(4)3323)35(27)1711916(29)101217h91214H5813H214H3(H3036)
MFCD04048673
propan2yl2((((5(4bromo15dimethyl1Hpyrazol3yl)4(4fluorophenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4bromo15dimethylpyrazol3yl)4(4fluorophenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000097949121
ZINC97949121
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