Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021026
SMILES N#C/C(=C\c1cccc2c1cccc2)/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 C26H24N2O3S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O3S/c1-16(2)31-26(30)23-21-12-5-6-13-22(21)32-25(23)28-24(29)19(15-27)14-18-10-7-9-17-8-3-4-11-20(17)18/h3-4,7-11,14,16H,5-6,12-13H2,1-2H3,(H,28,29)/b19-14+InChIKey
HAVSCFCYGJSKGP-XMHGGMMESA-NSynonyms
500104-75-6(E)isopropyl2(2cyano3(naphthalen1yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
500104756
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CC4=CC=CC=C43)C#N
InChI=1SC26H24N2O3Sc116(2)3126(30)232112561322(21)3225(23)2824(29)19(1527)14181079178341120(17)18h347111416H561213H212H3(H2829)b1914+
MFCD03304056
N#CC(=Cc1cccc2c1cccc2)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
propan2yl2(((2E)2cyano3(naphthalen1yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)2cyano3naphthalen1ylprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002357604
ZINC02357604
ZINC2357604
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