Vitas-M small molecule compound
2-{3-(3-chloro-4-ethoxyphenyl)-1-[(2E)-4-hydroxy-4-methylpent-2-en-2-yl]-4,5-dihydro-1H-pyrazol-5-yl}phenol
Catalog ID
STL200433
SMILES CCOc1ccc(cc1Cl)C1=NN(C(C1)c1ccccc1O)/C(=C/C(O)(C)C)/C
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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 C23H27ClN2O3 MW 414.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN2O3/c1-5-29-22-11-10-16(12-18(22)24)19-13-20(17-8-6-7-9-21(17)27)26(25-19)15(2)14-23(3,4)28/h6-12,14,20,27-28H,5,13H2,1-4H3/b15-14+InChIKey
JGTCXKHOPWHMJT-CCEZHUSRSA-NSynonyms
2(3(3chloro4ethoxyphenyl)1((2E)4hydroxy4methylpent2en2yl)45dihydro1Hpyrazol5yl)phenol
2(5(3chloro4ethoxyphenyl)2((E)4hydroxy4methylpent2en2yl)34dihydropyrazol3yl)phenol
CCOC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=CC(C)(C)O)C)Cl
CCOc1ccc(cc1Cl)C1=NN(C(C1)c1ccccc1O)C(=CC(O)(C)C)C
InChI=1SC23H27ClN2O3c152922111016(1218(22)24)191320(17867921(17)27)26(2519)15(2)1423(34)28h61214202728H513H214H3b1514+
MFCD24858210
ZINC000080325337
ZINC000080325340
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