Vitas-M small molecule compound
ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL175874
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccc(cc1)Br)CC)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 C28H32BrNO4S MW 558.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32BrNO4S/c1-6-22-17(15-34-19-10-8-18(29)9-11-19)12-23(35-22)26-24(27(32)33-7-2)16(3)30-20-13-28(4,5)14-21(31)25(20)26/h8-12,26,30H,6-7,13-15H2,1-5H3InChIKey
BCSLPJNHYOSHJS-UHFFFAOYSA-NSynonyms
438228-81-0438228810
CCC1=C(C=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)COC4=CC=C(C=C4)Br
ethyl4(4((4bromophenoxy)methyl)5ethylthiophen2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((4bromophenoxy)methyl)5ethylthiophen2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC28H32BrNO4Sc162217(15341910818(29)91119)1223(3522)2624(27(32)3372)16(3)30201328(45)1421(31)25(20)26h8122630H671315H215H3
MFCD03075160
ZINC000008441839
ZINC000008441840
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