Vitas-M small molecule compound

(3a'S,6a'R)-5-chloro-3'-(1-hydroxyethyl)-5'-(2-methoxybenzyl)-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
STL530407
SMILES COc1ccccc1CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2

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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 C23H22ClN3O5 MW 455.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O5/c1-11(28)19-17-18(23(26-19)14-9-13(24)7-8-15(14)25-22(23)31)21(30)27(20(17)29)10-12-5-3-4-6-16(12)32-2/h3-9,11,17-19,26,28H,10H2,1-2H3,(H,25,31)/t11?,17-,18-,19?,23?/m0/s1
InChIKey
SJIZLSKWOMRBFP-SUEOTQAISA-N
Synonyms
1212434-32-6
(3~(a)~(R)6~(a)~(S))5chloro1(1hydroxyethyl)5((2methoxyphenyl)methyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5chloro3(1hydroxyethyl)5(2methoxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5chloro3(1hydroxyethyl)5(2methoxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1212434326
16403103
COc1ccccc1CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2
InChI=1SC23H22ClN3O5c111(28)191718(23(2619)14913(24)7815(14)2522(23)31)21(30)27(20(17)29)1012534616(12)322h391117192628H10H212H3(H2531)t11?171819?23?m0s1
MFCD06495097
ZINC000015958444
ZINC000230018458

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Available files

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