Vitas-M small molecule compound
methyl 2-[({[4-benzyl-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
STK302804
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccccc2)c2n(C)nc(c2Cl)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/c1-15-21(27)22(32(2)31-15)23-29-30-26(33(23)13-16-9-5-4-6-10-16)37-14-19(34)28-24-20(25(35)36-3)17-11-7-8-12-18(17)38-24/h4-6,9-10H,7-8,11-14H2,1-3H3,(H,28,34)InChIKey
PHPLYEAXVMBMKH-UHFFFAOYSA-NSynonyms
1005694-10-91005694109
CC1=NN(C(=C1Cl)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)C
InChI=1SC26H27ClN6O3S2c11521(27)22(32(2)3115)23293026(33(23)131695461016)371419(34)282420(25(35)363)1711781218(17)3824h46910H781114H213H3(H2834)
methyl2((((4benzyl5(4chloro13dimethyl1Hpyrazol5yl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((4benzyl5(4chloro25dimethylpyrazol3yl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048990
ZINC000002743643
ZINC2743643
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