Vitas-M small molecule compound
5-(4-chlorophenyl)-6-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Catalog ID
STL439523
SMILES COc1ccc(cc1)N1C(=O)C2=C(C1c1ccc(cc1)O)C(=NCCN2)c1ccc(cc1)Cl
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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 C26H22ClN3O3 MW 459.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O3/c1-33-21-12-8-19(9-13-21)30-25(17-4-10-20(31)11-5-17)22-23(16-2-6-18(27)7-3-16)28-14-15-29-24(22)26(30)32/h2-13,25,29,31H,14-15H2,1H3InChIKey
SXQOGCWHFGKXDK-UHFFFAOYSA-NSynonyms
5(4chlorophenyl)6(4hydroxyphenyl)7(4methoxyphenyl)1236tetrahydropyrrolo(34e)(14)diazepin8one
5(4chlorophenyl)6(4hydroxyphenyl)7(4methoxyphenyl)2367tetrahydropyrrolo(34e)(14)diazepin8(1H)one
COC1=CC=C(C=C1)N2C(C3=C(C2=O)NCCN=C3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)O
InChI=1SC26H22ClN3O3c1332112819(91321)3025(1741020(31)11517)2223(162618(27)7316)2814152924(22)26(30)32h213252931H1415H21H3
MFCD06244693
ZINC000096300323
ZINC000096300324
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