Vitas-M small molecule compound
methyl 6-amino-4-(5-bromothiophen-2-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Catalog ID
STK692277
SMILES COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(s1)Br)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 C15H13BrN2O5S MW 413.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13BrN2O5S/c1-21-11(19)5-8-13(15(20)22-2)12(7(6-17)14(18)23-8)9-3-4-10(16)24-9/h3-4,12H,5,18H2,1-2H3InChIKey
KXRPTPXXJYFSEN-UHFFFAOYSA-NSynonyms
COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(S2)Br)C(=O)OC
InChI=1SC15H13BrN2O5Sc12111(19)5813(15(20)222)12(7(617)14(18)238)93410(16)249h3412H518H212H3
METHYL2(6AMINO4(5BROMO(2THIENYL))5CYANO3(METHOXYCARBONYL)4HPYRAN2YL)ACETATE
methyl6amino4(5bromothiophen2yl)5cyano2(2methoxy2oxoethyl)4Hpyran3carboxylate
MFCD08560480
ZINC000008783263
ZINC000012417582
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