Vitas-M small molecule compound
methyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL369931
SMILES CSc1ccc(cc1)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C(=O)OC
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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 C20H23NO4S MW 373.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4S/c1-20(2)9-13(22)16-14(10-20)25-18(21)17(19(23)24-3)15(16)11-5-7-12(26-4)8-6-11/h5-8,15H,9-10,21H2,1-4H3InChIKey
NKWNCSSLOCZENM-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)SC)C(=O)C1)C
InChI=1SC20H23NO4Sc120(2)913(22)1614(1020)2518(21)17(19(23)243)15(16)115712(264)8611h5815H91021H214H3
methyl2amino77dimethyl4(4(methylsulfanyl)phenyl)5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO77DIMETHYL4(4METHYLSULFANYLPHENYL)5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
METHYL2AMINO77DIMETHYL4(4METHYLTHIOPHENYL)5OXO4H678TRIHYDROCHROMENE3CARBOXYLATE
MFCD02150659
ZINC000001101134
ZINC000001101135
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