Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021027
SMILES N#C/C(=C\c1ccc(cc1)F)/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 C22H21FN2O3S MW 412.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN2O3S/c1-13(2)28-22(27)19-17-5-3-4-6-18(17)29-21(19)25-20(26)15(12-24)11-14-7-9-16(23)10-8-14/h7-11,13H,3-6H2,1-2H3,(H,25,26)/b15-11+InChIKey
GWNVQXHRCSDEKP-RVDMUPIBSA-NSynonyms
499209-78-8(E)isopropyl2(2cyano3(4fluorophenyl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
499209788
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(C=C3)F)C#N
InChI=1SC22H21FN2O3Sc113(2)2822(27)1917534618(17)2921(19)2520(26)15(1224)11147916(23)10814h71113H36H212H3(H2526)b1511+
MFCD03303670
N#CC(=Cc1ccc(cc1)F)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
propan2yl2(((2E)2cyano3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)2cyano3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000001454087
ZINC01454087
ZINC1454087
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