Vitas-M small molecule compound
methyl 2-({(2Z)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK739943
SMILES N#C/C(=C/c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-])/C(=O)Nc1sc2c(c1C(=O)OC)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 C24H18ClN3O6S MW 511.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O6S/c1-33-24(30)21-17-4-2-3-5-20(17)35-23(21)27-22(29)13(12-26)10-15-7-9-19(34-15)16-8-6-14(28(31)32)11-18(16)25/h6-11H,2-5H2,1H3,(H,27,29)/b13-10-InChIKey
OEWUXLCXQPIEAF-RAXLEYEMSA-NSynonyms
(E)methyl2(3(5(2chloro4nitrophenyl)furan2yl)2cyanoacrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)C#N
InChI=1SC24H18ClN3O6Sc13324(30)2117423520(17)3523(21)2722(29)13(1226)10157919(3415)168614(28(31)32)1118(16)25h611H25H21H3(H2729)b1310
methyl2(((2Z)3(5(2chloro4nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((Z)3(5(2chloro4nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD13371840
N#CC(=Cc1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O))C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000036092604
ZINC36092604
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