Vitas-M small molecule compound

(3S)-2-{4-[(10aS)-7,8-dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]butanoyl}-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STL579154
SMILES CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cc(c(c1)OC)OC

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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 C28H32N4O6 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O6/c1-29-26(34)21-11-17-7-4-5-8-18(17)15-31(21)25(33)9-6-10-30-27(35)22-12-19-13-23(37-2)24(38-3)14-20(19)16-32(22)28(30)36/h4-5,7-8,13-14,21-22H,6,9-12,15-16H2,1-3H3,(H,29,34)/t21-,22-/m0/s1
InChIKey
HFNONDKRJXORON-VXKWHMMOSA-N
Synonyms

(3S)2(4((10aS)78dimethoxy13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)butanoyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
(S)2(4((S)78dimethoxy13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)butanoyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)CCCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cc(c(c1)OC)OC
InChI=1SC28H32N4O6c12926(34)211117745818(17)1531(21)25(33)96103027(35)2212191323(372)24(383)1420(19)1632(22)28(30)36h457813142122H69121516H213H3(H2934)t2122m0s1
MFCD33397510

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Available files

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