Vitas-M small molecule compound
ethyl (2Z)-3-amino-2-[(4-nitrophenyl)carbamothioyl]but-2-enoate
Catalog ID
STK449324
SMILES CCOC(=O)/C(=C(/N)\C)/C(=S)Nc1ccc(cc1)[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 C13H15N3O4S MW 309.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O4S/c1-3-20-13(17)11(8(2)14)12(21)15-9-4-6-10(7-5-9)16(18)19/h4-7H,3,14H2,1-2H3,(H,15,21)/b11-8+InChIKey
UGESVTVKBYTYHA-DHZHZOJOSA-NSynonyms
CCOC(=O)C(=C(C)N)C(=S)NC1=CC=C(C=C1)(N+)(=O)(O)
CCOC(=O)C(=C(N)C)C(=S)Nc1ccc(cc1)(N+)(=O)(O)
ETHYL(2Z)3AMINO2(((4NITROPHENYL)AMINO)THIOXOMETHYL)BUT2ENOATE
ethyl(2Z)3amino2((4nitrophenyl)carbamothioyl)but2enoate
ETHYL(Z)3AMINO2((4NITROPHENYL)CARBAMOTHIOYL)BUT2ENOATE
ETHYL3AMINO2((4NITROANILINO)CARBOTHIOYL)2BUTENOATE
InChI=1SC13H15N3O4Sc132013(17)11(8(2)14)12(21)1594610(759)16(18)19h47H314H212H3(H1521)b118+
MFCD03467129
ZINC000102258356
ZINC102258356
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