Vitas-M small molecule compound
methyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302932
SMILES CCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)nnc1c1n(C)nc(c1Cl)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/c1-5-6-11-30-20(19-18(24)13(2)28-29(19)3)26-27-23(30)34-12-16(31)25-21-17(22(32)33-4)14-9-7-8-10-15(14)35-21/h5-12H2,1-4H3,(H,25,31)InChIKey
ZKRLNUHCHIHQCD-UHFFFAOYSA-NSynonyms
1005557-94-71005557947
CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C4=C(C(=NN4C)C)Cl
InChI=1SC23H29ClN6O3S2c156113020(1918(24)13(2)2829(19)3)262723(30)341216(31)252117(22(32)334)149781015(14)3521h512H214H3(H2531)
methyl2((((4butyl5(4chloro13dimethyl1Hpyrazol5yl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((4butyl5(4chloro25dimethylpyrazol3yl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04049026
ZINC000002751924
ZINC2751924
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