Vitas-M small molecule compound
methyl 2-{[({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK310615
SMILES COC(=O)c1c(NC(=O)CSc2nnc(o2)Cn2ccc(n2)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 C19H21N5O4S2 MW 447.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O4S2/c1-11-7-8-24(23-11)9-15-21-22-19(28-15)29-10-14(25)20-17-16(18(26)27-2)12-5-3-4-6-13(12)30-17/h7-8H,3-6,9-10H2,1-2H3,(H,20,25)InChIKey
VYVSKGRKBOXGBS-UHFFFAOYSA-NSynonyms
1005617-55-91005617559
CC1=NN(C=C1)CC2=NN=C(O2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC
InChI=1SC19H21N5O4S2c1117824(2311)915212219(2815)291014(25)201716(18(26)272)12534613(12)3017h78H36910H212H3(H2025)
methyl2((((5((3methyl1Hpyrazol1yl)methyl)134oxadiazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5((3methylpyrazol1yl)methyl)134oxadiazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04054232
ZINC000002805416
ZINC02805416
ZINC2805416
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