Vitas-M small molecule compound
N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5,6-trimethyl-1-benzofuran-2-carboxamide
Catalog ID
STK818693
SMILES CC1CCc2c(C1)sc(c2C(=O)NC1CCS(=O)(=O)C1)NC(=O)c1oc2c(c1C)cc(c(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 C26H30N2O5S2 MW 514.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5S2/c1-13-5-6-18-21(9-13)34-26(22(18)24(29)27-17-7-8-35(31,32)12-17)28-25(30)23-16(4)19-10-14(2)15(3)11-20(19)33-23/h10-11,13,17H,5-9,12H2,1-4H3,(H,27,29)(H,28,30)InChIKey
KJLWNWUGVFVTDI-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C4=C(C5=CC(=C(C=C5O4)C)C)C
InChI=1SC26H30N2O5S2c113561821(913)3426(22(18)24(29)27177835(3132)1217)2825(30)2316(4)191014(2)15(3)1120(19)3323h10111317H5912H214H3(H2729)(H2830)
MFCD04447998
N(3((11dioxidotetrahydrothiophen3yl)carbamoyl)6methyl4567tetrahydro1benzothiophen2yl)356trimethyl1benzofuran2carboxamide
N(3((11dioxothiolan3yl)carbamoyl)6methyl4567tetrahydro1benzothiophen2yl)356trimethyl1benzofuran2carboxamide
ZINC000001111686
ZINC000016293628
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