Vitas-M small molecule compound
9-(2-chlorobenzyl)-5-methyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Catalog ID
STL241491
SMILES Clc1ccccc1Cn1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)C
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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 C21H18ClN3OS MW 395.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3OS/c1-12-14-7-3-4-8-15(14)17-18-19(27-20(17)24-12)21(26)25(11-23-18)10-13-6-2-5-9-16(13)22/h2,5-6,9,11H,3-4,7-8,10H2,1H3InChIKey
MNNXREYAGIMDKZ-UHFFFAOYSA-NSynonyms
929865-94-19(2chlorobenzyl)5methyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8(9H)one
929865941
CC1=C2CCCCC2=C3C4=C(C(=O)N(C=N4)CC5=CC=CC=C5Cl)SC3=N1
InChI=1SC21H18ClN3OSc11214734815(14)171819(2720(17)2412)21(26)25(112318)1013625916(13)22h256911H347810H21H3
MFCD09846106
ZINC000009423040
ZINC09423040
ZINC9423040
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