Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL016800
SMILES N#C/C(=C\c1ccc(cc1)[N+](=O)[O-])/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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-13(2)30-22(27)19-17-5-3-4-6-18(17)31-21(19)24-20(26)15(12-23)11-14-7-9-16(10-8-14)25(28)29/h7-11,13H,3-6H2,1-2H3,(H,24,26)/b15-11+InChIKey
ITWQQRUAYREYIU-RVDMUPIBSA-NSynonyms
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))C#N
InChI=1SC22H21N3O5Sc113(2)3022(27)1917534618(17)3121(19)2420(26)15(1223)11147916(10814)25(28)29h71113H36H212H3(H2426)b1511+
MFCD04184414
N#CC(=Cc1ccc(cc1)(N+)(=O)(O))C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
propan2yl2(((2E)2cyano3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)2cyano3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002670720
ZINC02670720
ZINC2670720
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