Vitas-M small molecule compound
methyl 2-[({[5-(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
STK303012
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2c2ccccc2OC)c2nn(c(c2)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 C26H28N6O4S2 MW 552.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O4S2/c1-15-13-17(30-31(15)2)23-28-29-26(32(23)18-10-6-7-11-19(18)35-3)37-14-21(33)27-24-22(25(34)36-4)16-9-5-8-12-20(16)38-24/h6-7,10-11,13H,5,8-9,12,14H2,1-4H3,(H,27,33)InChIKey
FDERMJPYURTJPO-UHFFFAOYSA-NSynonyms
1005672-72-91005672729
CC1=CC(=NN1C)C2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC
InChI=1SC26H28N6O4S2c1151317(3031(15)2)23282926(32(23)1810671119(18)353)371421(33)272422(25(34)364)169581220(16)3824h67101113H5891214H214H3(H2733)
methyl2((((5(15dimethyl1Hpyrazol3yl)4(2methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5(15dimethylpyrazol3yl)4(2methoxyphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048980
ZINC000002758671
ZINC2758671
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