Vitas-M small molecule compound
5-benzyl-4-methyl-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxamide
Catalog ID
STK002627
SMILES O=C(Nc1sc(c(c1C(=O)N)C)Cc1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-]
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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 C22H19N3O4S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4S/c1-14-18(13-15-6-3-2-4-7-15)30-22(20(14)21(23)27)24-19(26)11-10-16-8-5-9-17(12-16)25(28)29/h2-12H,13H2,1H3,(H2,23,27)(H,24,26)/b11-10+InChIKey
DEKXWIOLYDXAJE-ZHACJKMWSA-NSynonyms
2((2E)3(3NITROPHENYL)PROP2ENOYLAMINO)4METHYL5BENZYLTHIOPHENE3CARBOXAMIDE
5BENZYL4METHYL2(((2E)3(3NITROPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXAMIDE
5BENZYL4METHYL2(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXAMIDE
CC1=C(SC(=C1C(=O)N)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O))CC3=CC=CC=C3
InChI=1SC22H19N3O4Sc11418(13156324715)3022(20(14)21(23)27)2419(26)11101685917(1216)25(28)29h212H13H21H3(H22327)(H2426)b1110+
MFCD01191233
O=C(Nc1sc(c(c1C(=O)N)C)Cc1ccccc1)C=Cc1cccc(c1)(N+)(=O)(O)
STK002627
ZINC000000840974
ZINC00840974
ZINC840974
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