Vitas-M small molecule compound
2,6-diamino-4-(4-chloro-3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Catalog ID
STK747524
SMILES N#CC1=C(N)SC(=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)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 C13H8ClN5O2S MW 333.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8ClN5O2S/c14-9-2-1-6(3-10(9)19(20)21)11-7(4-15)12(17)22-13(18)8(11)5-16/h1-3,11H,17-18H2InChIKey
XQMVIUCNHPKLJU-UHFFFAOYSA-NSynonyms
26DIAMINO4(4CHLORO3NITROPHENYL)4HTHIIN35DICARBONITRILE
26diamino4(4chloro3nitrophenyl)4Hthiopyran35dicarbonitrile
C1=CC(=C(C=C1C2C(=C(SC(=C2C#N)N)N)C#N)(N+)(=O)(O))Cl
InChI=1SC13H8ClN5O2Sc149216(310(9)19(20)21)117(415)12(17)2213(18)8(11)516h1311H1718H2
MFCD00742423
N#CC1=C(N)SC(=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C#N)N
ZINC000002489625
ZINC02489625
ZINC2489625
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