Vitas-M small molecule compound
2-[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]-1-(4-nitrophenyl)ethanone
Catalog ID
STK609671
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Cc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
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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 C25H23N5O4S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O4S/c31-20(15-5-7-16(8-6-15)30(32)33)13-19-23-22(27-14-26-19)21-17-3-1-2-4-18(17)24(28-25(21)35-23)29-9-11-34-12-10-29/h5-8,14H,1-4,9-13H2InChIKey
WIMGGGYTWBNKEN-UHFFFAOYSA-NSynonyms
847245-60-72(5(morpholin4yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)1(4nitrophenyl)ethanone
2(5morpholino1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)1(4nitrophenyl)ethanone
847245607
C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=NC=N4)CC(=O)C5=CC=C(C=C5)(N+)(=O)(O))N6CCOCC6
InChI=1SC25H23N5O4Sc3120(155716(8615)30(32)33)13192322(27142619)2117312418(17)24(2825(21)3523)2991134121029h5814H14913H2
MFCD04174572
O=C(c1ccc(cc1)(N+)(=O)(O))Cc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
ZINC000020392785
ZINC20392785
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