Vitas-M small molecule compound

Catalog ID
STK575974
SMILES CC([C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cc(Br)cc1)O

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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 C20H22BrN3O5 MW 464.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN3O5/c1-9(25)16-14-15(18(27)24(17(14)26)8-11-3-2-6-29-11)20(23-16)12-7-10(21)4-5-13(12)22-19(20)28/h4-5,7,9,11,14-16,23,25H,2-3,6,8H2,1H3,(H,22,28)/t9?,11?,14-,15-,16+,20-/m1/s1
InChIKey
QZJXOAXJLCTDBY-HNNMGMHWSA-N
Synonyms
1014022-57-1
(1R3S3aS6aR)5bromo1(1hydroxyethyl)5(oxolan2ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(1S3R3aR6aS)5bromo3((R)1hydroxyethyl)5((tetrahydrofuran2yl)methyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1014022571
CC((C@@H)1N(C@)2((C@@H)3(C@H)1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cc(Br)cc1)O
CC(C1C2C(C(=O)N(C2=O)CC3CCCO3)C4(N1)C5=C(C=CC(=C5)Br)NC4=O)O
InChI=1SC20H22BrN3O5c19(25)161415(18(27)24(17(14)26)8113262911)20(2316)12710(21)4513(12)2219(20)28h45791114162325H2368H21H3(H2228)t9?11?141516+20m1s1
MFCD10488323
ZINC000013592169
ZINC000020572503

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.