Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(2-methoxy-5-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK545961
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2)[N+](=O)[O-]
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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 C28H20N6O6 MW 536.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N6O6/c1-40-22-13-11-16(34(38)39)14-21(22)32-26(35)23-20-12-10-15-6-2-4-8-18(15)31(20)25(24(23)27(32)36)28(37)33-19-9-5-3-7-17(19)29-30-33/h2-14,20,23-25H,1H3/t20-,23-,24-,25+/m0/s1InChIKey
UZNSUDBNVIWVAC-WAABAYLZSA-NSynonyms
1212467-03-2(6aS6bR9aS10R)10(1Hbenzo(d)(123)triazole1carbonyl)8(2methoxy5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(1Hbenzotriazol1ylcarbonyl)8(2methoxy5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1212467032
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)N6C7=CC=CC=C7N=N6
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2)(N+)(=O)(O)
InChI=1SC28H20N6O6c14022131116(34(38)39)1421(22)3226(35)2320121015624818(15)31(20)25(24(23)27(32)36)28(37)3319953717(19)293033h214202325H1H3t20232425+m0s1
MFCD18242258
ZINC000100880445
ZINC100880445
Check stock
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Check stock on Vitas-MAvailable files
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