Vitas-M small molecule compound
propan-2-yl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021025
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl)/C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
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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 C26H22ClN3O6S MW 540.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O6S/c1-14(2)35-26(32)23-18-5-3-4-6-22(18)37-25(23)29-24(31)16(13-28)11-17-8-10-21(36-17)15-7-9-19(27)20(12-15)30(33)34/h7-12,14H,3-6H2,1-2H3,(H,29,31)/b16-11+InChIKey
GBLIMZNIDOFZOY-LFIBNONCSA-NSynonyms
500105-67-9(E)isopropyl2(3(5(4chloro3nitrophenyl)furan2yl)2cyanoacrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
500105679
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C#N
InChI=1SC26H22ClN3O6Sc114(2)3526(32)2318534622(18)3725(23)2924(31)16(1328)111781021(3617)157919(27)20(1215)30(33)34h71214H36H212H3(H2931)b1611+
MFCD03304152
N#CC(=Cc1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
propan2yl2(((2E)3(5(4chloro3nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)3(5(4chloro3nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002357868
ZINC2357868
Check stock
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Check stock on Vitas-MAvailable files
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