Vitas-M small molecule compound
propan-2-yl 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
STK302862
SMILES CCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)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 C25H33ClN6O3S2 MW 565.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33ClN6O3S2/c1-6-7-12-32-22(21-20(26)15(4)30-31(21)5)28-29-25(32)36-13-18(33)27-23-19(24(34)35-14(2)3)16-10-8-9-11-17(16)37-23/h14H,6-13H2,1-5H3,(H,27,33)InChIKey
DSOILIIJIOKKPH-UHFFFAOYSA-NSynonyms
1005695-19-11005695191
CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C4=C(C(=NN4C)C)Cl
InChI=1SC25H33ClN6O3S2c167123222(2120(26)15(4)3031(21)5)282925(32)361318(33)272319(24(34)3514(2)3)1610891117(16)3723h14H613H215H3(H2733)
MFCD04049027
propan2yl2((((4butyl5(4chloro13dimethyl1Hpyrazol5yl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((4butyl5(4chloro25dimethylpyrazol3yl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002747763
ZINC2747763
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