Vitas-M small molecule compound
methyl 2-{[(2Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK467263
SMILES N#C/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])/C(=O)Nc1sccc1C(=O)OC
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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 C17H11N3O7S MW 401.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O7S/c1-25-17(22)11-2-3-28-16(11)19-15(21)10(7-18)4-9-5-13-14(27-8-26-13)6-12(9)20(23)24/h2-6H,8H2,1H3,(H,19,21)/b10-4-InChIKey
QBQQQJHRBRXARQ-WMZJFQQLSA-NSynonyms
COC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)C#N
InChI=1SC17H11N3O7Sc12517(22)11232816(11)1915(21)10(718)4951314(2782613)612(9)20(23)24h26H8H21H3(H1921)b104
methyl2(((2Z)2cyano3(6nitro13benzodioxol5yl)prop2enoyl)amino)thiophene3carboxylate
methyl2(((Z)2cyano3(6nitro13benzodioxol5yl)prop2enoyl)amino)thiophene3carboxylate
METHYL2((2Z)2CYANO3(6NITRO(2HBENZO(34D)13DIOXOLAN5YL))PROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD09563592
N#CC(=Cc1cc2OCOc2cc1(N+)(=O)(O))C(=O)Nc1sccc1C(=O)OC
ZINC000017082149
ZINC17082149
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