Vitas-M small molecule compound
methyl 5-(dimethylcarbamoyl)-4-methyl-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK437939
SMILES COC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc(c1C)C(=O)N(C)C
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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 C19H19N3O6S MW 417.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O6S/c1-11-15(19(25)28-4)17(29-16(11)18(24)21(2)3)20-14(23)9-8-12-6-5-7-13(10-12)22(26)27/h5-10H,1-4H3,(H,20,23)/b9-8+InChIKey
CWHAIZFYHLYHCM-CMDGGOBGSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)N(C)C
COC(=O)c1c(NC(=O)C=Cc2cccc(c2)(N+)(=O)(O))sc(c1C)C(=O)N(C)C
InChI=1SC19H19N3O6Sc11115(19(25)284)17(2916(11)18(24)21(2)3)2014(23)981265713(1012)22(26)27h510H14H3(H2023)b98+
METHYL2((2E)3(3NITROPHENYL)PROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5((DIMETHYLAMINO)CARBONYL)2((3(3NITROPHENYL)ACRYLOYL)AMINO)4METHYL3THIOPHENECARBOXYLATE
methyl5(dimethylcarbamoyl)4methyl2(((2E)3(3nitrophenyl)prop2enoyl)amino)thiophene3carboxylate
METHYL5(DIMETHYLCARBAMOYL)4METHYL2(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD03397020
ZINC000000656871
ZINC00656871
ZINC656871
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.