Vitas-M small molecule compound

N-{2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl}-1,3-benzodioxole-5-carboxamide (non-preferred name)

Catalog ID
STL300099
SMILES O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cccnc1

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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 C16H14N4O4 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4/c21-15(20-19-8-11-2-1-5-17-7-11)9-18-16(22)12-3-4-13-14(6-12)24-10-23-13/h1-8H,9-10H2,(H,18,22)(H,20,21)/b19-8+
InChIKey
MYNPDCUYXBYOCJ-UFWORHAWSA-N
Synonyms
331417-20-0
(E)N(2oxo2(2(pyridin3ylmethylene)hydrazinyl)ethyl)benzo(d)(13)dioxole5carboxamide
331417200
C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NN=CC3=CN=CC=C3
InChI=1SC16H14N4O4c2115(201981121517711)91816(22)12341314(612)24102313h18H910H2(H1822)(H2021)b198+
MFCD00702049
N(2OXO2((2E)2(PYRIDIN3YLMETHYLIDENE)HYDRAZINYL)ETHYL)13BENZODIOXOLE5CARBOXAMIDE
N(2oxo2((2E)2(pyridin3ylmethylidene)hydrazinyl)ethyl)13benzodioxole5carboxamide(nonpreferredname)
N(2OXO2(2(3PYRIDINYLMETHYLENE)HYDRAZINO)ETHYL)13BENZODIOXOLE5CARBOXAMIDE
O=C(CNC(=O)c1ccc2c(c1)OCO2)NN=Cc1cccnc1
ZINC000002054810
ZINC33347381

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.