Vitas-M small molecule compound

(2'R,3'R)-3'-[(4-methoxyphenyl)carbonyl]-2'-(3-nitrophenyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione

Catalog ID
STK550890
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)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 C33H23N3O6 MW 557.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23N3O6/c1-42-23-15-13-19(14-16-23)29(37)28-27(20-8-6-9-22(17-20)36(40)41)33(31(38)25-11-4-5-12-26(25)32(33)39)30-24-10-3-2-7-21(24)18-34-35(28)30/h2-18,27-28,30H,1H3/t27-,28+,30?/m0/s1
InChIKey
KORUMJJIFWDHGT-VXLAJHQFSA-N
Synonyms

(2R3R)3((4methoxyphenyl)carbonyl)2(3nitrophenyl)23dihydro10bHspiro(indene21pyrrolo(21a)phthalazine)13dione
(2R3R)3(4methoxybenzoyl)2(3nitrophenyl)310bdihydro2Hspiro(indene21pyrrolo(21a)phthalazine)13dione
(2R3R)3(4methoxybenzoyl)2(3nitrophenyl)spiro(310bdihydro2Hpyrrolo(21a)phthalazine12indene)13dione
COC1=CC=C(C=C1)C(=O)C2C(C3(C4N2N=CC5=CC=CC=C45)C(=O)C6=CC=CC=C6C3=O)C7=CC(=CC=C7)(N+)(=O)(O)
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2(C@@)2((C@H)1c1cccc(c1)(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)cccc3
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2C2((C@H)1c1cccc(c1)(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)cccc3
InChI=1SC33H23N3O6c14223151319(141623)29(37)2827(2086922(1720)36(40)41)33(31(38)2511451226(25)32(33)39)30241032721(24)183435(28)30h218272830H1H3t2728+30?m0s1
ZINC000001874977
ZINC000102631333

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Available files

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