Vitas-M small molecule compound

(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5-methyl-5'-phenyl-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
STL532824
SMILES Cc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccccc1)Cc1c[nH]c3c1cccc3)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 C29H24N4O3 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O3/c1-16-11-12-22-20(13-16)29(28(36)31-22)25-24(26(34)33(27(25)35)18-7-3-2-4-8-18)23(32-29)14-17-15-30-21-10-6-5-9-19(17)21/h2-13,15,23-25,30,32H,14H2,1H3,(H,31,36)/t23?,24-,25+,29?/m1/s1
InChIKey
OPXHLGNYZGUKKP-SIAIGSQXSA-N
Synonyms
957045-66-8
(3~(a)~(R)6~(a)~(S))1(1~(H)indol3ylmethyl)5methyl5phenylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5methyl5phenyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)3(1Hindol3ylmethyl)5methyl5phenyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16404256
957045668
Cc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)c1ccccc1)Cc1c(nH)c3c1cccc3)C(=O)N2
InChI=1SC29H24N4O3c11611122220(1316)29(28(36)3122)2524(26(34)33(27(25)35)187324818)23(3229)14171530211065919(17)21h2131523253032H14H21H3(H3136)t23?2425+29?m1s1
MFCD06766604
ZINC000015967689
ZINC000015967694

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Available files

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