Vitas-M small molecule compound
N-[(11aS)-11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-(1H-tetrazol-1-yl)benzamide
Catalog ID
STL539397
SMILES O=C(c1ccc(cc1)n1cnnn1)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O
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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 C20H17N7O3 MW 403.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N7O3/c28-18(12-3-6-14(7-4-12)27-11-21-24-25-27)22-13-5-8-16-15(10-13)20(30)26-9-1-2-17(26)19(29)23-16/h3-8,10-11,17H,1-2,9H2,(H,22,28)(H,23,29)/t17-/m0/s1InChIKey
VGNHFEBCDUVHPL-KRWDZBQOSA-NSynonyms
1574485-09-8~(N)((6~(a)~(S))611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)4(tetrazol1yl)benzamide
1574485098
71826615
InChI=1SC20H17N7O3c2818(123614(7412)271121242527)2213581615(1013)20(30)2691217(26)19(29)2316h38101117H129H2(H2228)(H2329)t17m0s1
N((11aS)11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)4(1Htetrazol1yl)benzamide
ZINC000096114892
ZINC96114892
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