Vitas-M small molecule compound
ethyl 2-[1-(4-nitrophenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate
Catalog ID
STK591680
SMILES CCOC(=O)c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)cccc1
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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 C27H17N3O7S MW 527.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17N3O7S/c1-2-36-26(33)15-9-12-18-20(13-15)38-27(28-18)29-22(14-7-10-16(11-8-14)30(34)35)21-23(31)17-5-3-4-6-19(17)37-24(21)25(29)32/h3-13,22H,2H2,1H3InChIKey
OHJHEUVFWKIZNW-UHFFFAOYSA-NSynonyms
874395-17-2874395172
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N3C(C4=C(C3=O)OC5=CC=CC=C5C4=O)C6=CC=C(C=C6)(N+)(=O)(O)
CCOC(=O)c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)(N+)(=O)(O))c(=O)c1c(o2)cccc1
ETHYL2(1(4NITROPHENYL)39DIOXO1HCHROMENO(23C)PYRROL2YL)13BENZOTHIAZOLE6CARBOXYLATE
ethyl2(1(4nitrophenyl)39dioxo39dihydrochromeno(23c)pyrrol2(1H)yl)13benzothiazole6carboxylate
ETHYL2(1(4NITROPHENYL)39DIOXOCHROMENO(23C)3PYRROLIN2YL)BENZOTHIAZOLE6CARBOXYLATE
ethyl2(1(4nitrophenyl)39dioxochromeno(23c)pyrrol2(1H3H9H)yl)benzo(d)thiazole6carboxylate
InChI=1SC27H17N3O7Sc123626(33)159121820(1315)3827(2818)2922(1471016(11814)30(34)35)2123(31)17534619(17)3724(21)25(29)32h31322H2H21H3
MFCD06778909
ZINC000097956694
ZINC000097956695
Check stock
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Check stock on Vitas-MAvailable files
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