Vitas-M small molecule compound

(3S,3'S,3a'R,6a'S)-5-chloro-3'-(3,4-dihydroxybenzyl)-7-methyl-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
STK586735
SMILES Clc1cc(C)c2c(c1)[C@]1(N[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)CC1CCCO1)Cc1ccc(c(c1)O)O)C(=O)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 C26H26ClN3O6 MW 511.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O6/c1-12-7-14(27)10-16-22(12)28-25(35)26(16)21-20(17(29-26)8-13-4-5-18(31)19(32)9-13)23(33)30(24(21)34)11-15-3-2-6-36-15/h4-5,7,9-10,15,17,20-21,29,31-32H,2-3,6,8,11H2,1H3,(H,28,35)/t15?,17-,20-,21+,26+/m0/s1
InChIKey
VZAZLHJHVVHFSO-SUFNHNCDSA-N
Synonyms
1014024-11-3
(1S3S3aR6aS)5chloro3(34dihydroxybenzyl)7methyl5((tetrahydrofuran2yl)methyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(1S3S3aS6aR)5chloro1((34dihydroxyphenyl)methyl)7methyl5(oxolan2ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3S3S3aR6aS)5chloro3(34dihydroxybenzyl)7methyl5(tetrahydrofuran2ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014024113
CC1=C2C(=CC(=C1)Cl)C3(C4C(C(N3)CC5=CC(=C(C=C5)O)O)C(=O)N(C4=O)CC6CCCO6)C(=O)N2
Clc1cc(C)c2c(c1)(C@)1(N(C@H)((C@H)3(C@@H)1C(=O)N(C3=O)CC1CCCO1)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC26H26ClN3O6c112714(27)101622(12)2825(35)26(16)2120(17(2926)8134518(31)19(32)913)23(33)30(24(21)34)11153263615h45791015172021293132H236811H21H3(H2835)t15?172021+26+m0s1
MFCD18245807
ZINC000015972295
ZINC000020572363

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Available files

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