Vitas-M small molecule compound
methyl 4-[8-amino-3,7-dicyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d]thieno[3,2-b]pyridin-6-yl]benzoate
Catalog ID
STK692463
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(=O)[nH]c1c2sc(c1C#N)NC)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 C21H15N5O4S MW 433.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O4S/c1-25-20-12(8-23)15-17(31-20)16-14(19(27)26-15)13(11(7-22)18(24)30-16)9-3-5-10(6-4-9)21(28)29-2/h3-6,13,25H,24H2,1-2H3,(H,26,27)InChIKey
UKTBOJSRVIFHEA-UHFFFAOYSA-NSynonyms
CNC1=C(C2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)C(=O)OC)C(=O)N2)C#N
COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(=O)(nH)c1c2sc(c1C#N)NC)C#N
InChI=1SC21H15N5O4Sc1252012(823)1517(3120)1614(19(27)2615)13(11(722)18(24)3016)93510(649)21(28)292h361325H24H212H3(H2627)
methyl4(8amino37dicyano2(methylamino)5oxo46dihydro5Hpyrano(23d)thieno(32b)pyridin6yl)benzoate
MFCD10038400
ZINC000015083548
ZINC000015083550
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