Vitas-M small molecule compound
propan-2-yl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302962
SMILES CCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1nn(cc1Cl)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 C24H31ClN6O3S2 MW 551.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31ClN6O3S2/c1-5-6-11-31-21(20-16(25)12-30(4)29-20)27-28-24(31)35-13-18(32)26-22-19(23(33)34-14(2)3)15-9-7-8-10-17(15)36-22/h12,14H,5-11,13H2,1-4H3,(H,26,32)InChIKey
YNUMDGUXGXHZBU-UHFFFAOYSA-NSynonyms
1005671-81-71005671817
CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C4=NN(C=C4Cl)C
InChI=1SC24H31ClN6O3S2c156113121(2016(25)1230(4)2920)272824(31)351318(32)262219(23(33)3414(2)3)159781017(15)3622h1214H51113H214H3(H2632)
MFCD04048665
propan2yl2((((4butyl5(4chloro1methyl1Hpyrazol3yl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((4butyl5(4chloro1methylpyrazol3yl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000097948068
ZINC97948068
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