Vitas-M small molecule compound
4-amino-5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one
Catalog ID
STK980852
SMILES CSc1nc(N)c2c(n1)NC1=C(C2c2ccc3c(c2)OCO3)C(=O)CC(C1)(C)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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-21(2)7-11-16(12(26)8-21)15(10-4-5-13-14(6-10)28-9-27-13)17-18(22)24-20(29-3)25-19(17)23-11/h4-6,15H,7-9H2,1-3H3,(H3,22,23,24,25)InChIKey
ZSAGRQPRPBPIMC-UHFFFAOYSA-NSynonyms
4amino5(13benzodioxol5yl)88dimethyl2(methylsulfanyl)58910tetrahydropyrimido(45b)quinolin6(7H)one
4amino5(13benzodioxol5yl)88dimethyl2methylsulfanyl57910tetrahydropyrimido(45b)quinolin6one
CC1(CC2=C(C(C3=C(N2)N=C(N=C3N)SC)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC21H22N4O3Sc121(2)71116(12(26)821)15(10451314(610)2892713)1718(22)2420(293)2519(17)2311h4615H79H213H3(H322232425)
MFCD06277812
ZINC000032655361
ZINC000032655363
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