Vitas-M small molecule compound
(2S)-N-[(11aS)-11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanamide
Catalog ID
STL539743
SMILES CC(C[C@H](N1Cc2c(C1=O)cccc2)C(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O)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 C26H28N4O4 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4/c1-15(2)12-22(30-14-16-6-3-4-7-18(16)25(30)33)24(32)27-17-9-10-20-19(13-17)26(34)29-11-5-8-21(29)23(31)28-20/h3-4,6-7,9-10,13,15,21-22H,5,8,11-12,14H2,1-2H3,(H,27,32)(H,28,31)/t21-,22-/m0/s1InChIKey
KQEURCRREACCRE-VXKWHMMOSA-NSynonyms
1491135-10-4(2~(S))~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)4methyl2(3oxo1~(H)isoindol2yl)pentanamide
(2S)N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)4methyl2(1oxo13dihydro2Hisoindol2yl)pentanamide
1491135104
71827150
InChI=1SC26H28N4O4c115(2)1222(301416634718(16)25(30)33)24(32)27179102019(1317)26(34)29115821(29)23(31)2820h346791013152122H58111214H212H3(H2732)(H2831)t2122m0s1
ZINC000096114107
ZINC96114107
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