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Vitas-M small molecule compound

tert-butyl (2'R,3'R)-2'-(2,5-dimethoxyphenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxylate

Catalog ID
STK553495
SMILES COc1ccc(c(c1)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)OC

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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 C32H30N2O6 MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O6/c1-31(2,3)40-30(37)26-25(23-16-19(38-4)14-15-24(23)39-5)32(28(35)21-12-8-9-13-22(21)29(32)36)27-20-11-7-6-10-18(20)17-33-34(26)27/h6-17,25-27H,1-5H3/t25-,26+,27?/m0/s1
InChIKey
GOOSFYMDSXJJJB-AJRFNQODSA-N
Synonyms
1177650-83-7
(2R3R)tertbutyl2(25dimethoxyphenyl)13dioxo13310btetrahydro2Hspiro(indene21pyrrolo(21a)phthalazine)3carboxylate
1177650837
CC(C)(C)OC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)C5=CC=CC=C5C2=O)C6=C(C=CC(=C6)OC)OC
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)OC(C)(C)C)N2C((C@@)31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)OC
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)OC(C)(C)C)N2C(C31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)OC
InChI=1SC32H30N2O6c131(23)4030(37)2625(231619(384)141524(23)395)32(28(35)2112891322(21)29(32)36)272011761018(20)173334(26)27h6172527H15H3t2526+27?m0s1
tertbutyl(2R3R)2(25dimethoxyphenyl)13dioxo1233tetrahydro10bHspiro(indene21pyrrolo(21a)phthalazine)3carboxylate
tertbutyl(2R3R)2(25dimethoxyphenyl)13dioxospiro(310bdihydro2Hpyrrolo(21a)phthalazine12indene)3carboxylate
ZINC000100969010
ZINC000100969016

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Available files

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