Vitas-M small molecule compound
methyl 2-{[(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK467129
SMILES N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)Nc1sccc1C(=O)OC
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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 C17H11ClN2O5S MW 390.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClN2O5S/c1-23-17(22)11-2-3-26-16(11)20-15(21)10(7-19)4-9-5-13-14(6-12(9)18)25-8-24-13/h2-6H,8H2,1H3,(H,20,21)/b10-4+InChIKey
NRIGQRNNUDTJNJ-ONNFQVAWSA-NSynonyms
COC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N
InChI=1SC17H11ClN2O5Sc12317(22)11232616(11)2015(21)10(719)4951314(612(9)18)2582413h26H8H21H3(H2021)b104+
methyl2(((2E)3(6chloro13benzodioxol5yl)2cyanoprop2enoyl)amino)thiophene3carboxylate
methyl2(((E)3(6chloro13benzodioxol5yl)2cyanoprop2enoyl)amino)thiophene3carboxylate
METHYL2((2E)3(6CHLORO(2HBENZO(34D)13DIOXOLAN5YL))2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD06105353
N#CC(=Cc1cc2OCOc2cc1Cl)C(=O)Nc1sccc1C(=O)OC
ZINC000017079797
ZINC17079797
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