Vitas-M small molecule compound

methyl 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
STK302831
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2c2ccc(cc2)F)c2nn(c(c2Br)C)C)sc2c1CCCC2

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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 C25H24BrFN6O3S2 MW 619.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrFN6O3S2/c1-13-20(26)21(31-32(13)2)22-29-30-25(33(22)15-10-8-14(27)9-11-15)37-12-18(34)28-23-19(24(35)36-3)16-6-4-5-7-17(16)38-23/h8-11H,4-7,12H2,1-3H3,(H,28,34)
InChIKey
FVZYKZYRFMFWJB-UHFFFAOYSA-N
Synonyms
1005615-53-1
1005615531
CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)Br
InChI=1SC25H24BrFN6O3S2c11320(26)21(3132(13)2)22293025(33(22)1510814(27)91115)371218(34)282319(24(35)363)16645717(16)3823h811H4712H213H3(H2834)
methyl2((((5(4bromo15dimethyl1Hpyrazol3yl)4(4fluorophenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5(4bromo15dimethylpyrazol3yl)4(4fluorophenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048672
ZINC000097948943
ZINC97948943

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Available files

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