Vitas-M small molecule compound
methyl 3-chloro-6-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)-1-benzothiophene-2-carboxylate
Catalog ID
STK457700
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1CCN(CC1)C(=O)C1CCCO1
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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 C20H22ClN3O4S2 MW 468.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O4S2/c1-27-19(26)17-16(21)13-5-4-12(11-15(13)30-17)22-20(29)24-8-6-23(7-9-24)18(25)14-3-2-10-28-14/h4-5,11,14H,2-3,6-10H2,1H3,(H,22,29)InChIKey
PZXRKKWRYDQCPI-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)C(=O)C4CCCO4)Cl
InChI=1SC20H22ClN3O4S2c12719(26)1716(21)135412(1115(13)3017)2220(29)248623(7924)18(25)1432102814h451114H23610H21H3(H2229)
METHYL3CHLORO6(((4((2R)TETRAHYDROFURAN2YLCARBONYL)PIPERAZIN1YL)CARBOTHIOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
METHYL3CHLORO6(((4((2S)TETRAHYDROFURAN2YLCARBONYL)PIPERAZIN1YL)CARBOTHIOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
METHYL3CHLORO6(((4(OXOLAN2YLCARBONYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZO(B)THIOPHENE2CARBOXYLATE
methyl3chloro6(((4(tetrahydrofuran2ylcarbonyl)piperazin1yl)carbonothioyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6((4(OXOLANE2CARBONYL)PIPERAZINE1CARBOTHIOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD04136891
ZINC000002857173
ZINC000002857174
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.