Vitas-M small molecule compound

N-(4-bromophenyl)-2-[(2S,11aS)-2-hydroxy-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide

Catalog ID
STK608717
SMILES O[C@H]1C[C@@H]2N(C1)C(=O)c1c(N(C2=O)CC(=O)Nc2ccc(cc2)Br)cccc1

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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 C20H18BrN3O4 MW 444.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O4/c21-12-5-7-13(8-6-12)22-18(26)11-24-16-4-2-1-3-15(16)19(27)23-10-14(25)9-17(23)20(24)28/h1-8,14,17,25H,9-11H2,(H,22,26)/t14-,17-/m0/s1
InChIKey
ITSTXYWOLWIHTG-YOEHRIQHSA-N
Synonyms
1014064-69-7
1014064697
2((6aS8S)8hydroxy611dioxo6a789tetrahydropyrrolo(21c)(14)benzodiazepin5yl)N(4bromophenyl)acetamide
C1C(CN2C1C(=O)N(C3=CC=CC=C3C2=O)CC(=O)NC4=CC=C(C=C4)Br)O
InChI=1SC20H18BrN3O4c21125713(8612)2218(26)112416421315(16)19(27)231014(25)917(23)20(24)28h18141725H911H2(H2226)t1417m0s1
MFCD18246242
N(4bromophenyl)2((2S11aS)2hydroxy511dioxo231111atetrahydro1Hbenzo(e)pyrrolo(12a)(14)diazepin10(5H)yl)acetamide
N(4bromophenyl)2((2S11aS)2hydroxy511dioxo231111atetrahydro1Hpyrrolo(21c)(14)benzodiazepin10(5H)yl)acetamide
O(C@H)1C(C@@H)2N(C1)C(=O)c1c(N(C2=O)CC(=O)Nc2ccc(cc2)Br)cccc1
ZINC000013629123
ZINC13629123

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Available files

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