Vitas-M small molecule compound
(8S,8aR,11aS)-8-(1,3-benzodioxol-5-ylcarbonyl)-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL054254
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc3c(c2)OCO3)C=Cc2c1cccc2)[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 C29H21N3O8 MW 539.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O8/c1-38-20-9-7-17(32(36)37)13-19(20)31-28(34)23-24(29(31)35)26(27(33)16-6-8-21-22(12-16)40-14-39-21)30-11-10-15-4-2-3-5-18(15)25(23)30/h2-13,23-26H,14H2,1H3/t23-,24+,25?,26-/m0/s1InChIKey
VDCXPRKVHGNAEK-HLMSNRGBSA-NSynonyms
1013870-61-5(8S8aR11aS)8(13benzodioxol5ylcarbonyl)10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(benzo(d)(13)dioxole5carbonyl)10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013870615
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC7=C(C=C6)OCO7
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc3c(c2)OCO3)C=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC29H21N3O8c138209717(32(36)37)1319(20)3128(34)2324(29(31)35)26(27(33)16682122(1216)40143921)30111015423518(15)25(23)30h2132326H14H21H3t2324+25?26m0s1
MFCD18249592
ZINC000001316154
ZINC000101171295
Check stock
See real-time availability and sample size for STL054254 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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