Vitas-M small molecule compound
methyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302960
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2c2ccc(cc2)C)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 C26H27ClN6O3S2 MW 571.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN6O3S2/c1-14-9-11-16(12-10-14)33-23(22-21(27)15(2)32(3)31-22)29-30-26(33)37-13-19(34)28-24-20(25(35)36-4)17-7-5-6-8-18(17)38-24/h9-12H,5-8,13H2,1-4H3,(H,28,34)InChIKey
NUCSOJDSECEUBS-UHFFFAOYSA-NSynonyms
1005617-49-11005617491
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C5=NN(C(=C5Cl)C)C
InChI=1SC26H27ClN6O3S2c11491116(121014)3323(2221(27)15(2)32(3)3122)293026(33)371319(34)282420(25(35)364)17756818(17)3824h912H5813H214H3(H2834)
methyl2((((5(4chloro15dimethyl1Hpyrazol3yl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5(4chloro15dimethylpyrazol3yl)4(4methylphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048985
ZINC000002752054
ZINC2752054
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