Vitas-M small molecule compound
5-(3,4-dimethoxyphenyl)-N-[2-(4-oxoquinazolin-3(4H)-yl)ethyl]-1H-pyrazole-3-carboxamide
Catalog ID
STL409387
SMILES COc1cc(ccc1OC)c1[nH]nc(c1)C(=O)NCCn1cnc2c(c1=O)cccc2
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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 C22H21N5O4 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4/c1-30-19-8-7-14(11-20(19)31-2)17-12-18(26-25-17)21(28)23-9-10-27-13-24-16-6-4-3-5-15(16)22(27)29/h3-8,11-13H,9-10H2,1-2H3,(H,23,28)(H,25,26)InChIKey
WXNGUSZMBZFRPI-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)N(2(4oxoquinazolin3(4H)yl)ethyl)1Hpyrazole5carboxamide
3(34dimethoxyphenyl)N(2(4oxoquinazolin3yl)ethyl)1Hpyrazole5carboxamide
5(34dimethoxyphenyl)N(2(4oxoquinazolin3(4H)yl)ethyl)1Hpyrazole3carboxamide
COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)NCCN3C=NC4=CC=CC=C4C3=O)OC
COc1cc(ccc1OC)c1(nH)nc(c1)C(=O)NCCn1cnc2c(c1=O)cccc2
COc1cc(ccc1OC)c1n(nH)c(c1)C(=O)NCCn1cnc2c(c1=O)cccc2
InChI=1SC22H21N5O4c130198714(1120(19)312)171218(262517)21(28)2391027132416643515(16)22(27)29h381113H910H212H3(H2328)(H2526)
MFCD30705688
ZINC000096116980
ZINC96116980
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