Vitas-M small molecule compound

5-(4-chlorophenyl)-7-(4-ethoxyphenyl)-6-(2-fluorophenyl)-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one

Catalog ID
STK687122
SMILES CCOc1ccc(cc1)N1C(=O)C2=C(C1c1ccccc1F)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 C27H23ClFN3O2 MW 475.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClFN3O2/c1-2-34-20-13-11-19(12-14-20)32-26(21-5-3-4-6-22(21)29)23-24(17-7-9-18(28)10-8-17)30-15-16-31-25(23)27(32)33/h3-14,26,31H,2,15-16H2,1H3
InChIKey
CAIXLRXOUPEMTL-UHFFFAOYSA-N
Synonyms

5(4chlorophenyl)7(4ethoxyphenyl)6(2fluorophenyl)1236tetrahydropyrrolo(34e)(14)diazepin8one
5(4chlorophenyl)7(4ethoxyphenyl)6(2fluorophenyl)2367tetrahydropyrrolo(34e)(14)diazepin8(1H)one
CCOC1=CC=C(C=C1)N2C(C3=C(C2=O)NCCN=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5F
InChI=1SC27H23ClFN3O2c123420131119(121420)3226(21534622(21)29)2324(177918(28)10817)3015163125(23)27(32)33h3142631H21516H21H3
MFCD06617480
ZINC000001404934
ZINC000001404938

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Available files

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