Vitas-M small molecule compound
3-benzyl-6-(4-bromophenyl)-8-(3,4-dimethoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Catalog ID
STL000273
SMILES COc1cc(ccc1OC)C1C2C(Sc3c1sc(=O)n3Cc1ccccc1)C(=O)N(C2=O)c1ccc(cc1)Br
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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 C29H23BrN2O5S2 MW 623.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O5S2/c1-36-20-13-8-17(14-21(20)37-2)22-23-24(27(34)32(26(23)33)19-11-9-18(30)10-12-19)38-28-25(22)39-29(35)31(28)15-16-6-4-3-5-7-16/h3-14,22-24H,15H2,1-2H3InChIKey
LQPMJQHDGWRATB-UHFFFAOYSA-NSynonyms
3benzyl6(4bromophenyl)8(34dimethoxyphenyl)34a7a8tetrahydropyrrolo(3456)thiopyrano(23d)(13)thiazole257(6H)trione
3benzyl6(4bromophenyl)8(34dimethoxyphenyl)7a8dihydro4aHpyrrolo(23)thiopyrano(45b)(13)thiazole257trione
3benzyl6(4bromophenyl)8(34dimethoxyphenyl)7a8dihydropyrrolo(3456)thiopyrano(23d)thiazole257(3H4aH6H)trione
COC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)SC5=C2SC(=O)N5CC6=CC=CC=C6)OC
InChI=1SC29H23BrN2O5S2c1362013817(1421(20)372)222324(27(34)32(26(23)33)1911918(30)101219)382825(22)3929(35)31(28)15166435716h3142224H15H212H3
MFCD03670676
ZINC000150403517
ZINC000248133274
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