Vitas-M small molecule compound
7-amino-2-(benzylsulfanyl)-5-(propan-2-yl)-4-(prop-2-en-1-yloxy)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Catalog ID
STL109893
SMILES C=CCOc1nc(SCc2ccccc2)nc2c1C(C(C)C)C(=C(O2)N)C#N
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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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-4-10-26-19-17-16(13(2)3)15(11-22)18(23)27-20(17)25-21(24-19)28-12-14-8-6-5-7-9-14/h4-9,13,16H,1,10,12,23H2,2-3H3InChIKey
LOLVNFJMWYGLKP-UHFFFAOYSA-NSynonyms
7amino2(benzylsulfanyl)5(propan2yl)4(prop2en1yloxy)5Hpyrano(23d)pyrimidine6carbonitrile
7amino2benzylsulfanyl5propan2yl4prop2enoxy5Hpyrano(23d)pyrimidine6carbonitrile
CC(C)C1C(=C(OC2=C1C(=NC(=N2)SCC3=CC=CC=C3)OCC=C)N)C#N
InChI=1SC21H22N4O2Sc141026191716(13(2)3)15(1122)18(23)2720(17)2521(2419)2812148657914h491316H1101223H223H3
MFCD20737318
ZINC000067257847
ZINC000067257851
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