Vitas-M small molecule compound
methyl 6-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK781149
SMILES COC(=O)C1=C(C)OC(=C(C1c1scc(c1)Cn1cnc2c1cccc2)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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-12-18(21(26)27-2)19(14(8-22)20(23)28-12)17-7-13(10-29-17)9-25-11-24-15-5-3-4-6-16(15)25/h3-7,10-11,19H,9,23H2,1-2H3InChIKey
GDZNROSJXZPCGB-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CS2)CN3C=NC4=CC=CC=C43)C(=O)OC
InChI=1SC21H18N4O3Sc11218(21(26)272)19(14(822)20(23)2812)17713(102917)925112415534616(15)25h37101119H923H212H3
METHYL(4R)6AMINO4(4(1HBENZIMIDAZOL1YLMETHYL)THIOPHEN2YL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
methyl6amino4(4(1Hbenzimidazol1ylmethyl)thiophen2yl)5cyano2methyl4Hpyran3carboxylate
METHYL6AMINO4(4(BENZIMIDAZOL1YLMETHYL)THIOPHEN2YL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
MFCD06014381
ZINC000001432812
ZINC000001432813
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