Vitas-M small molecule compound

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide

Catalog ID
STL311214
SMILES COc1ccc(cc1)c1[nH]nc(c1)C(=O)Nc1ccc2c(c1)OCCCO2

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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 C20H19N3O4 MW 365.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4/c1-25-15-6-3-13(4-7-15)16-12-17(23-22-16)20(24)21-14-5-8-18-19(11-14)27-10-2-9-26-18/h3-8,11-12H,2,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKey
JAHTZCXACMAYSK-UHFFFAOYSA-N
Synonyms
1441870-19-4
1441870194
COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4
COc1ccc(cc1)c1(nH)nc(c1)C(=O)Nc1ccc2c(c1)OCCCO2
COc1ccc(cc1)c1n(nH)c(c1)C(=O)Nc1ccc2c(c1)OCCCO2
InChI=1SC20H19N3O4c125156313(4715)161217(232216)20(24)2114581819(1114)2710292618h381112H2910H21H3(H2124)(H2223)
MFCD28025975
N(34dihydro2H15benzodioxepin7yl)3(4methoxyphenyl)1Hpyrazole5carboxamide
N(34dihydro2H15benzodioxepin7yl)5(4methoxyphenyl)1Hpyrazole3carboxamide
N(34dihydro2Hbenzo(b)(14)dioxepin7yl)3(4methoxyphenyl)1Hpyrazole5carboxamide
ZINC000095473903
ZINC95473903

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Available files

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