Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK303020
SMILES CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1nn(c(c1Cl)C)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 C23H29ClN6O3S2 MW 537.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29ClN6O3S2/c1-6-30-20(19-18(24)13(4)29(5)28-19)26-27-23(30)34-11-16(31)25-21-17(22(32)33-12(2)3)14-9-7-8-10-15(14)35-21/h12H,6-11H2,1-5H3,(H,25,31)InChIKey
ORYLFKLDRWXOHN-UHFFFAOYSA-NSynonyms
1005672-87-61005672876
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C4=NN(C(=C4Cl)C)C
InChI=1SC23H29ClN6O3S2c163020(1918(24)13(4)29(5)2819)262723(30)341116(31)252117(22(32)3312(2)3)149781015(14)3521h12H611H215H3(H2531)
MFCD04048983
propan2yl2((((5(4chloro15dimethyl1Hpyrazol3yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4chloro15dimethylpyrazol3yl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002758699
ZINC2758699
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