Vitas-M small molecule compound
1-hydroxy-4-(3-methylbutyl)-9-(thiophen-2-yl)-9,10-dihydropyrimido[4,5-c]isoquinoline-3,7(4H,8H)-dione
Catalog ID
STK657095
SMILES CC(CCn1c(=O)nc(c2c1ncc1c2CC(CC1=O)c1cccs1)O)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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-11(2)5-6-23-18-17(19(25)22-20(23)26)13-8-12(16-4-3-7-27-16)9-15(24)14(13)10-21-18/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,22,25,26)InChIKey
RZTFNDVKCACPPZ-UHFFFAOYSA-NSynonyms
1030450-68-01030450680
1hydroxy4(3methylbutyl)9(thiophen2yl)910dihydropyrimido(45c)isoquinoline37(4H8H)dione
4(3methylbutyl)9thiophen2yl910dihydro8Hpyrimido(45c)isoquinoline137trione
CC(C)CCN1C2=NC=C3C(=C2C(=O)NC1=O)CC(CC3=O)C4=CC=CS4
InChI=1SC20H21N3O3Sc111(2)56231817(19(25)2220(23)26)13812(164372716)915(24)14(13)102118h3471012H5689H212H3(H222526)
MFCD18167917
ZINC000019962273
ZINC000019962275
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