Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302978
SMILES CC(OC(=O)c1c(NC(=O)CSc2nnc(n2CC(C)C)c2n(C)nc(c2Cl)C)sc2c1CCCC2)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 C25H33ClN6O3S2 MW 565.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33ClN6O3S2/c1-13(2)11-32-22(21-20(26)15(5)30-31(21)6)28-29-25(32)36-12-18(33)27-23-19(24(34)35-14(3)4)16-9-7-8-10-17(16)37-23/h13-14H,7-12H2,1-6H3,(H,27,33)InChIKey
FAJPOKPXSKEWBR-UHFFFAOYSA-NSynonyms
1005558-33-71005558337
CC1=NN(C(=C1Cl)C2=NN=C(N2CC(C)C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C
InChI=1SC25H33ClN6O3S2c113(2)113222(2120(26)15(5)3031(21)6)282925(32)361218(33)272319(24(34)3514(3)4)169781017(16)3723h1314H712H216H3(H2733)
MFCD04048712
propan2yl2((((5(4chloro13dimethyl1Hpyrazol5yl)4(2methylpropyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4chloro25dimethylpyrazol3yl)4(2methylpropyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002752118
ZINC2752118
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