Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK303024
SMILES CC(OC(=O)c1c(NC(=O)CSc2nnc(n2C2CCCCC2)c2c(Cl)cnn2C)sc2c1CCCC2)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 C26H33ClN6O3S2 MW 577.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33ClN6O3S2/c1-15(2)36-25(35)21-17-11-7-8-12-19(17)38-24(21)29-20(34)14-37-26-31-30-23(22-18(27)13-28-32(22)3)33(26)16-9-5-4-6-10-16/h13,15-16H,4-12,14H2,1-3H3,(H,29,34)InChIKey
VXAXYBDCXFISTQ-UHFFFAOYSA-NSynonyms
1005664-62-91005664629
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4CCCCC4)C5=C(C=NN5C)Cl
InChI=1SC26H33ClN6O3S2c115(2)3625(35)211711781219(17)3824(21)2920(34)143726313023(2218(27)132832(22)3)33(26)1695461016h131516H41214H213H3(H2934)
MFCD04048993
propan2yl2((((5(4chloro1methyl1Hpyrazol5yl)4cyclohexyl4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4chloro2methylpyrazol3yl)4cyclohexyl124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002758718
ZINC2758718
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