Vitas-M small molecule compound
2-[(2S,11aS)-2-hydroxy-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(4-methoxyphenyl)acetamide
Catalog ID
STL534394
SMILES COc1ccc(cc1)NC(=O)CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2c1cccc2)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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-29-15-8-6-13(7-9-15)22-19(26)12-24-17-5-3-2-4-16(17)20(27)23-11-14(25)10-18(23)21(24)28/h2-9,14,18,25H,10-12H2,1H3,(H,22,26)/t14-,18-/m0/s1InChIKey
AFVLPBCYEOUJRF-KSSFIOAISA-NSynonyms
957033-61-316408029
2((2S11aS)2hydroxy511dioxo231111atetrahydro1Hbenzo(e)pyrrolo(12a)(14)diazepin10(5H)yl)N(4methoxyphenyl)acetamide
2((2S11aS)2hydroxy511dioxo231111atetrahydro1Hpyrrolo(21c)(14)benzodiazepin10(5H)yl)N(4methoxyphenyl)acetamide
2((6~(a)~(S)8~(S))8hydroxy611dioxo6~(a)789tetrahydropyrrolo(21c)(14)benzodiazepin5yl)~(N)(4methoxyphenyl)acetamide
957033613
COc1ccc(cc1)NC(=O)CN1C(=O)(C@@H)2C(C@@H)(CN2C(=O)c2c1cccc2)O
InChI=1SC21H21N3O5c129158613(7915)2219(26)122417532416(17)20(27)231114(25)1018(23)21(24)28h29141825H1012H21H3(H2226)t1418m0s1
MFCD08742346
ZINC000012893391
ZINC12893391
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