Vitas-M small molecule compound
ethyl 2-amino-7,7-dimethyl-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
STK781946
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1scc(c1)Cn1ncnc1)C(=O)CC(C2)(C)C
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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 C21H24N4O4S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S/c1-4-28-20(27)18-17(15-5-12(9-30-15)8-25-11-23-10-24-25)16-13(26)6-21(2,3)7-14(16)29-19(18)22/h5,9-11,17H,4,6-8,22H2,1-3H3InChIKey
YCVGFXKKHYOTSM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C(C1C3=CC(=CS3)CN4C=NC=N4)C(=O)CC(C2)(C)C)N
ETHYL2AMINO77DIMETHYL5OXO4(4(124TRIAZOL1YLMETHYL)THIOPHEN2YL)68DIHYDRO4HCHROMENE3CARBOXYLATE
ethyl2amino77dimethyl5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)5678tetrahydro4Hchromene3carboxylate
InChI=1SC21H24N4O4Sc142820(27)1817(15512(93015)8251123102425)1613(26)621(23)714(16)2919(18)22h591117H46822H213H3
MFCD06016228
ZINC000012412775
ZINC000012412777
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