Vitas-M small molecule compound
methyl 5-amino-6-cyano-2-methyl-7-(3-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate
Catalog ID
STK778187
SMILES COC(=O)c1c(C)sc2c1OC(=C(C2c1cccc(c1)[N+](=O)[O-])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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c1-8-12(17(21)24-2)14-15(26-8)13(11(7-18)16(19)25-14)9-4-3-5-10(6-9)20(22)23/h3-6,13H,19H2,1-2H3InChIKey
CZLHEORUNBZBAO-UHFFFAOYSA-NSynonyms
CC1=C(C2=C(S1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC
COC(=O)c1c(C)sc2c1OC(=C(C2c1cccc(c1)(N+)(=O)(O))C#N)N
InChI=1SC17H13N3O5Sc1812(17(21)242)1415(268)13(11(718)16(19)2514)943510(69)20(22)23h3613H19H212H3
methyl5amino6cyano2methyl7(3nitrophenyl)7Hthieno(32b)pyran3carboxylate
MFCD05855900
ZINC000004697941
ZINC000004697942
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