Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK473587
SMILES CCOC(=O)c1ccsc1NC(=O)/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])/C#N
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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 C18H13N3O7S MW 415.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O7S/c1-2-26-18(23)12-3-4-29-17(12)20-16(22)11(8-19)5-10-6-14-15(28-9-27-14)7-13(10)21(24)25/h3-7H,2,9H2,1H3,(H,20,22)/b11-5+InChIKey
XORAYYQDWBBDQW-VZUCSPMQSA-NSynonyms
CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)C#N
CCOC(=O)c1ccsc1NC(=O)C(=Cc1cc2OCOc2cc1(N+)(=O)(O))C#N
ethyl2(((2E)2cyano3(6nitro13benzodioxol5yl)prop2enoyl)amino)thiophene3carboxylate
ethyl2(((E)2cyano3(6nitro13benzodioxol5yl)prop2enoyl)amino)thiophene3carboxylate
InChI=1SC18H13N3O7Sc122618(23)12342917(12)2016(22)11(819)51061415(2892714)713(10)21(24)25h37H29H21H3(H2022)b115+
MFCD07093346
ZINC000017090242
ZINC17090242
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