Vitas-M small molecule compound
methyl 2-{[(2E)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK949504
SMILES N#C/C(=C\c1ccc(o1)Br)/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 C18H15BrN2O4S MW 435.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN2O4S/c1-24-18(23)15-12-4-2-3-5-13(12)26-17(15)21-16(22)10(9-20)8-11-6-7-14(19)25-11/h6-8H,2-5H2,1H3,(H,21,22)/b10-8+InChIKey
LIXNYUTVQGGYQH-CSKARUKUSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)Br)C#N
InChI=1SC18H15BrN2O4Sc12418(23)1512423513(12)2617(15)2116(22)10(920)8116714(19)2511h68H25H21H3(H2122)b108+
methyl2(((2E)3(5bromofuran2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(5bromofuran2yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04194584
N#CC(=Cc1ccc(o1)Br)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000001453398
ZINC01453398
ZINC1453398
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