Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(2-methyl-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK546461
SMILES Clc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])cccc3
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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 C28H20ClN3O5 MW 513.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O5/c1-15-6-11-19(32(36)37)14-21(15)31-27(34)22-23(28(31)35)25(26(33)17-7-9-18(29)10-8-17)30-13-12-16-4-2-3-5-20(16)24(22)30/h2-14,22-25H,1H3/t22-,23+,24?,25-/m0/s1InChIKey
GMBBJCGUZTZBPE-NPZNXQLHSA-NSynonyms
956926-27-5(8S8aR11aS)8((4chlorophenyl)carbonyl)10(2methyl5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(2methyl5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956926275
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O))cccc3
InChI=1SC28H20ClN3O5c11561119(32(36)37)1421(15)3127(34)2223(28(31)35)25(26(33)177918(29)10817)30131216423520(16)24(22)30h2142225H1H3t2223+24?25m0s1
MFCD18242292
ZINC000016037096
ZINC000036001088
Check stock
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Check stock on Vitas-MAvailable files
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