Vitas-M small molecule compound

(3S,3'S,3a'R,6a'S)-7-chloro-3'-(2-methylpropyl)-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

Catalog ID
STK578079
SMILES CC(C[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1Cl)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 C22H26ClN3O4 MW 431.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN3O4/c1-11(2)9-15-16-17(20(28)26(19(16)27)10-12-5-4-8-30-12)22(25-15)13-6-3-7-14(23)18(13)24-21(22)29/h3,6-7,11-12,15-17,25H,4-5,8-10H2,1-2H3,(H,24,29)/t12?,15-,16-,17+,22+/m0/s1
InChIKey
ATAOPMJJEOVIDZ-SSMLRFDRSA-N
Synonyms
1014065-15-6
(1S3S3aR6aS)7chloro3isobutyl5((tetrahydrofuran2yl)methyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(1S3S3aS6aR)7chloro1(2methylpropyl)5(oxolan2ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3S3S3aR6aS)7chloro3(2methylpropyl)5(tetrahydrofuran2ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014065156
CC(C(C@@H)1N(C@)2((C@@H)3(C@H)1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1Cl)C
CC(C)CC1C2C(C(=O)N(C2=O)CC3CCCO3)C4(N1)C5=C(C(=CC=C5)Cl)NC4=O
InChI=1SC22H26ClN3O4c111(2)9151617(20(28)26(19(16)27)10125483012)22(2515)1363714(23)18(13)2421(22)29h3671112151725H45810H212H3(H2429)t12?151617+22+m0s1
MFCD18245596
ZINC000009130110
ZINC000013592037

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Available files

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