Vitas-M small molecule compound

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

Catalog ID
STK552880
SMILES [O-][N+](=O)c1ccc(cc1)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)C(=O)C(C)(C)C

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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 C30H25N3O5 MW 507.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O5/c1-29(2,3)28(36)24-23(17-12-14-19(15-13-17)33(37)38)30(26(34)21-10-6-7-11-22(21)27(30)35)25-20-9-5-4-8-18(20)16-31-32(24)25/h4-16,23-25H,1-3H3/t23-,24+,25?/m0/s1
InChIKey
OJTGUMHOECYUAW-ZXABPTRBSA-N
Synonyms
1212433-74-3
(2R3R)2(4nitrophenyl)3pivaloyl310bdihydro2Hspiro(indene21pyrrolo(21a)phthalazine)13dione
(2R3R)3(22dimethylpropanoyl)2(4nitrophenyl)23dihydro10bHspiro(indene21pyrrolo(21a)phthalazine)13dione
(2R3R)3(22dimethylpropanoyl)2(4nitrophenyl)spiro(310bdihydro2Hpyrrolo(21a)phthalazine12indene)13dione
(O)(N+)(=O)c1ccc(cc1)(C@H)1(C@@H)(N2C((C@@)31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)C(=O)C(C)(C)C
(O)(N+)(=O)c1ccc(cc1)(C@H)1(C@@H)(N2C(C31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)C(=O)C(C)(C)C
1212433743
CC(C)(C)C(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC30H25N3O5c129(23)28(36)2423(17121419(151317)33(37)38)30(26(34)2110671122(21)27(30)35)2520954818(20)163132(24)25h4162325H13H3t2324+25?m0s1
ZINC000009463335
ZINC000009463338

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Available files

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