Vitas-M small molecule compound

[1-amino-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl](3-nitrophenyl)methanone

Catalog ID
STK551317
SMILES O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)c1cccc(c1)[N+](=O)[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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c23-18-17-15-6-1-2-7-16(15)21(25-8-10-30-11-9-25)24-22(17)31-20(18)19(27)13-4-3-5-14(12-13)26(28)29/h3-5,12H,1-2,6-11,23H2
InChIKey
UQXYRFICJRRSSK-UHFFFAOYSA-N
Synonyms
799795-31-6
(1amino5(morpholin4yl)6789tetrahydrothieno(23c)isoquinolin2yl)(3nitrophenyl)methanone
(1amino5morpholin4yl6789tetrahydrothieno(23c)isoquinolin2yl)(3nitrophenyl)methanone
(1amino5morpholino6789tetrahydrothieno(23c)isoquinolin2yl)(3nitrophenyl)methanone
799795316
C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)C4=CC(=CC=C4)(N+)(=O)(O))N)N5CCOCC5
InChI=1SC22H22N4O4Sc23181715612716(15)21(258103011925)2422(17)3120(18)19(27)1343514(1213)26(28)29h3512H1261123H2
MFCD03677272
O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)c1cccc(c1)(N+)(=O)(O)
ZINC000002220525
ZINC2220525

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.