Vitas-M small molecule compound

tert-butyl (2'R,3'R)-2'-(4-bromophenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxylate

Catalog ID
STK550860
SMILES Brc1ccc(cc1)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

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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 C30H25BrN2O4 MW 557.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrN2O4/c1-29(2,3)37-28(36)24-23(17-12-14-19(31)15-13-17)30(26(34)21-10-6-7-11-22(21)27(30)35)25-20-9-5-4-8-18(20)16-32-33(24)25/h4-16,23-25H,1-3H3/t23-,24+,25?/m0/s1
InChIKey
MSSKZRDFBNMVOH-ZXABPTRBSA-N
Synonyms

(2R3R)tertbutyl2(4bromophenyl)13dioxo13310btetrahydro2Hspiro(indene21pyrrolo(21a)phthalazine)3carboxylate
Brc1ccc(cc1)(C@H)1(C@H)(C(=O)OC(C)(C)C)N2C((C@@)31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2
Brc1ccc(cc1)(C@H)1(C@H)(C(=O)OC(C)(C)C)N2C(C31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2
CC(C)(C)OC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)Br
InChI=1SC30H25BrN2O4c129(23)3728(36)2423(17121419(31)151317)30(26(34)2110671122(21)27(30)35)2520954818(20)163233(24)25h4162325H13H3t2324+25?m0s1
tertbutyl(2R3R)2(4bromophenyl)13dioxo1233tetrahydro10bHspiro(indene21pyrrolo(21a)phthalazine)3carboxylate
tertbutyl(2R3R)2(4bromophenyl)13dioxospiro(310bdihydro2Hpyrrolo(21a)phthalazine12indene)3carboxylate
ZINC000001868830
ZINC000101071285

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Available files

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