Vitas-M small molecule compound
methyl {5-[3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate
Catalog ID
STL321896
SMILES COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN3C(C1)CCC3)c1ccccc1CC2
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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 C26H32N4O3 MW 448.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O3/c1-33-26(32)27-21-11-10-20-9-8-19-5-2-3-7-23(19)30(24(20)17-21)25(31)12-14-28-15-16-29-13-4-6-22(29)18-28/h2-3,5,7,10-11,17,22H,4,6,8-9,12-16,18H2,1H3,(H,27,32)InChIKey
PAUBRSDGFKFUPI-UHFFFAOYSA-NSynonyms
COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCN5CCCC5C4)C=C1
COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN3C(C1)CCC3)c1ccccc1CC2OClCl
InChI=1SC26H32N4O3c13326(32)27211110209819523723(19)30(24(20)1721)25(31)121428151629134622(29)1828h235710111722H4689121618H21H3(H2732)
methyl(5(3(hexahydropyrrolo(12a)pyrazin2(1H)yl)propanoyl)1011dihydro5Hdibenzo(bf)azepin3yl)carbamate
methyl(5(3(hexahydropyrrolo(12a)pyrazin2(1H)yl)propanoyl)1011dihydro5Hdibenzo(bf)azepin3yl)carbamatedihydrochloridehydrate
methylN(11(3(346788ahexahydro1Hpyrrolo(12a)pyrazin2yl)propanoyl)56dihydrobenzo(b)(1)benzazepin2yl)carbamate
MFCD01552643
ZINC000019338435
ZINC000022044972
Check stock
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Check stock on Vitas-MAvailable files
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