Vitas-M small molecule compound
propan-2-yl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302964
SMILES Cc1ccc(cc1)n1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1cc(nn1C)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 C28H32N6O3S2 MW 564.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N6O3S2/c1-16(2)37-27(36)24-20-8-6-7-9-22(20)39-26(24)29-23(35)15-38-28-31-30-25(21-14-18(4)32-33(21)5)34(28)19-12-10-17(3)11-13-19/h10-14,16H,6-9,15H2,1-5H3,(H,29,35)InChIKey
IGBKMXJDWADRPI-UHFFFAOYSA-NSynonyms
1005671-89-51005671895
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=CC(=NN5C)C
InChI=1SC28H32N6O3S2c116(2)3727(36)2420867922(20)3926(24)2923(35)153828313025(211418(4)3233(21)5)34(28)19121017(3)111319h101416H6915H215H3(H2935)
MFCD04048679
propan2yl2((((5(13dimethyl1Hpyrazol5yl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(25dimethylpyrazol3yl)4(4methylphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002752068
ZINC2752068
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