Vitas-M small molecule compound
5-bromo-N-(4-tert-butylbenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
Catalog ID
STK910938
SMILES Brc1ccc2c(c1)c(C)c(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(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 C25H28BrNO4S MW 518.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28BrNO4S/c1-16-21-13-19(26)9-10-22(21)31-23(16)24(28)27(20-11-12-32(29,30)15-20)14-17-5-7-18(8-6-17)25(2,3)4/h5-10,13,20H,11-12,14-15H2,1-4H3InChIKey
VTUJQVNCROCNSU-UHFFFAOYSA-NSynonyms
5bromoN((4tertbutylphenyl)methyl)N(11dioxothiolan3yl)3methyl1benzofuran2carboxamide
5bromoN(4tertbutylbenzyl)N(11dioxidotetrahydrothiophen3yl)3methyl1benzofuran2carboxamide
CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N(CC3=CC=C(C=C3)C(C)(C)C)C4CCS(=O)(=O)C4
InChI=1SC25H28BrNO4Sc116211319(26)91022(21)3123(16)24(28)27(20111232(2930)1520)14175718(8617)25(23)4h5101320H11121415H214H3
MFCD07425830
ZINC000008869832
ZINC000008869834
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