Vitas-M small molecule compound
2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-(2-methoxyphenyl)acetamide
Catalog ID
STL472153
SMILES COc1ccccc1NC(=O)CN1c2ccccc2C(=O)N2C(C1=O)CCC2
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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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-28-18-11-5-3-8-15(18)22-19(25)13-24-16-9-4-2-7-14(16)20(26)23-12-6-10-17(23)21(24)27/h2-5,7-9,11,17H,6,10,12-13H2,1H3,(H,22,25)InChIKey
YAZYCHNAFWJFIB-UHFFFAOYSA-NSynonyms
(S)2(511dioxo231111atetrahydro1Hbenzo(e)pyrrolo(12a)(14)diazepin10(5H)yl)N(2methoxyphenyl)acetamide
2(511dioxo231111atetrahydro1Hpyrrolo(21c)(14)benzodiazepin10(5H)yl)N(2methoxyphenyl)acetamide
2(611dioxo6a789tetrahydropyrrolo(21c)(14)benzodiazepin5yl)N(2methoxyphenyl)acetamide
COC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCC4C2=O
COc1ccccc1NC(=O)CN1c2ccccc2C(=O)N2(C@H)(C1=O)CCC2
InChI=1SC21H21N3O4c128181153815(18)2219(25)132416942714(16)20(26)231261017(23)21(24)27h25791117H6101213H21H3(H2225)
MFCD08336662
ZINC000039265863
ZINC000208600159
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