Vitas-M small molecule compound
methyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK303006
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccco2)c2n(C)nc(c2Cl)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 C24H25ClN6O4S2 MW 561.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN6O4S2/c1-13-19(25)20(30(2)29-13)21-27-28-24(31(21)11-14-7-6-10-35-14)36-12-17(32)26-22-18(23(33)34-3)15-8-4-5-9-16(15)37-22/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,26,32)InChIKey
VLEXDQYZQXIEIF-UHFFFAOYSA-NSynonyms
1005558-72-41005558724
CC1=NN(C(=C1Cl)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)C
InChI=1SC24H25ClN6O4S2c11319(25)20(30(2)2913)21272824(31(21)111476103514)361217(32)262218(23(33)343)15845916(15)3722h6710H45891112H213H3(H2632)
methyl2((((5(4chloro13dimethyl1Hpyrazol5yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5(4chloro25dimethylpyrazol3yl)4(furan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048995
ZINC000002758665
ZINC2758665
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