Vitas-M small molecule compound
methyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302880
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2c2ccccc2OC)c2nn(c(c2Cl)C)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 C26H27ClN6O4S2 MW 587.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN6O4S2/c1-14-21(27)22(31-32(14)2)23-29-30-26(33(23)16-10-6-7-11-17(16)36-3)38-13-19(34)28-24-20(25(35)37-4)15-9-5-8-12-18(15)39-24/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H,28,34)InChIKey
AZFAFYWUFNAGBH-UHFFFAOYSA-NSynonyms
1005616-40-91005616409
CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)Cl
InChI=1SC26H27ClN6O4S2c11421(27)22(3132(14)2)23293026(33(23)1610671117(16)363)381319(34)282420(25(35)374)159581218(15)3924h671011H5891213H214H3(H2834)
methyl2((((5(4chloro15dimethyl1Hpyrazol3yl)4(2methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5(4chloro15dimethylpyrazol3yl)4(2methoxyphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048636
ZINC000002747831
ZINC2747831
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