Vitas-M small molecule compound
6-(4-bromophenyl)-8-(3-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Catalog ID
STK999959
SMILES Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(c1cccc(c1)[N+](=O)[O-])c1c(S2)[nH]c(=O)s1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H12BrN3O5S2 MW 518.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12BrN3O5S2/c21-10-4-6-11(7-5-10)23-18(25)14-13(9-2-1-3-12(8-9)24(28)29)15-17(22-20(27)31-15)30-16(14)19(23)26/h1-8,13-14,16H,(H,22,27)InChIKey
LFODMOSKFXPBHF-UHFFFAOYSA-NSynonyms
4842-18-64842186
6(4bromophenyl)8(3nitrophenyl)34a7a8tetrahydropyrrolo(23)thiopyrano(45b)(13)thiazole257trione
6(4bromophenyl)8(3nitrophenyl)34a7a8tetrahydropyrrolo(3456)thiopyrano(23d)(13)thiazole257(6H)trione
6(4bromophenyl)8(3nitrophenyl)7a8dihydropyrrolo(3456)thiopyrano(23d)thiazole257(3H4aH6H)trione
Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(c1cccc(c1)(N+)(=O)(O))c1c(S2)(nH)c(=O)s1
C1=CC(=CC(=C1)(N+)(=O)(O))C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)SC5=C2SC(=O)N5
InChI=1SC20H12BrN3O5S2c21104611(7510)2318(25)1413(921312(89)24(28)29)1517(2220(27)3115)3016(14)19(23)26h18131416H(H2227)
MFCD03130815
ZINC000100804146
ZINC000169691139
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