Vitas-M small molecule compound
ethyl 4-{[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetyl}piperazine-1-carboxylate
Catalog ID
STL538645
SMILES CCOC(=O)N1CCN(CC1)C(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2c1cccc2
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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 C21H26N4O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5/c1-2-30-21(29)23-12-10-22(11-13-23)18(26)14-25-16-7-4-3-6-15(16)19(27)24-9-5-8-17(24)20(25)28/h3-4,6-7,17H,2,5,8-14H2,1H3/t17-/m0/s1InChIKey
ZISHBSXGUJOQLZ-KRWDZBQOSA-NSynonyms
1374566-73-0(S)ethyl4(2(511dioxo231111atetrahydro1Hbenzo(e)pyrrolo(12a)(14)diazepin10(5H)yl)acetyl)piperazine1carboxylate
1374566730
71691917
CCOC(=O)N1CCN(CC1)C(=O)CN1C(=O)(C@@H)2CCCN2C(=O)c2c1cccc2
ethyl4(((11aS)511dioxo231111atetrahydro1Hpyrrolo(21c)(14)benzodiazepin10(5H)yl)acetyl)piperazine1carboxylate
ethyl4(2((6~(a)~(S))611dioxo6~(a)789tetrahydropyrrolo(21c)(14)benzodiazepin5yl)acetyl)piperazine1carboxylate
InChI=1SC21H26N4O5c123021(29)23121022(111323)18(26)142516743615(16)19(27)2495817(24)20(25)28h346717H25814H21H3t17m0s1
ZINC000072325196
ZINC72325196
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