Vitas-M small molecule compound
methyl 2-amino-5-oxo-4-[4-(1H-1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK782112
SMILES COC(=O)C1=C(N)OC2=C(C1c1scc(c1)Cn1ncnc1)C(=O)CCC2
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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 C18H18N4O4S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4S/c1-25-18(24)16-15(14-11(23)3-2-4-12(14)26-17(16)19)13-5-10(7-27-13)6-22-9-20-8-21-22/h5,7-9,15H,2-4,6,19H2,1H3InChIKey
AJOOSKCFHDJMBM-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(OC2=C(C1C3=CC(=CS3)CN4C=NC=N4)C(=O)CCC2)N
InChI=1SC18H18N4O4Sc12518(24)1615(1411(23)32412(14)2617(16)19)13510(72713)62292082122h57915H24619H21H3
methyl2amino5oxo4(4(124triazol1ylmethyl)thiophen2yl)4678tetrahydrochromene3carboxylate
METHYL2AMINO5OXO4(4(124TRIAZOLYLMETHYL)(2THIENYL))4H678TRIHYDROCHROMENE3CARBOXYLATE
methyl2amino5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)5678tetrahydro4Hchromene3carboxylate
MFCD06016655
ZINC000004727526
ZINC000004727527
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