Vitas-M small molecule compound
2,6-diamino-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Catalog ID
STK694562
SMILES N#CC1=C(N)SC(=C(C1c1cc2OCOc2c(c1OC)OC)C#N)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 C16H14N4O4S MW 358.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4S/c1-21-12-7(3-10-13(14(12)22-2)24-6-23-10)11-8(4-17)15(19)25-16(20)9(11)5-18/h3,11H,6,19-20H2,1-2H3InChIKey
SKFLQPGMCUBZLK-UHFFFAOYSA-NSynonyms
26diamino4(67dimethoxy13benzodioxol5yl)4Hthiopyran35dicarbonitrile
COC1=C(C2=C(C=C1C3C(=C(SC(=C3C#N)N)N)C#N)OCO2)OC
InChI=1SC16H14N4O4Sc121127(31013(14(12)222)2462310)118(417)15(19)2516(20)9(11)518h311H61920H212H3
MFCD12034739
ZINC000035324878
ZINC35324878
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