Vitas-M small molecule compound

(3R,3'S,3a'S,6a'R)-5'-(1,3-benzodioxol-5-yl)-3'-(1H-indol-3-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
STL529764
SMILES O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@H](Cc1c[nH]c3c1cccc3)N[C@@]12C(=O)Nc2c1cccc2

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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 C29H22N4O5 MW 506.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O5/c34-26-24-21(11-15-13-30-19-7-3-1-5-17(15)19)32-29(18-6-2-4-8-20(18)31-28(29)36)25(24)27(35)33(26)16-9-10-22-23(12-16)38-14-37-22/h1-10,12-13,21,24-25,30,32H,11,14H2,(H,31,36)/t21-,24+,25-,29-/m0/s1
InChIKey
BLTYSATYRVZWPM-PXMCIRSJSA-N
Synonyms
956936-30-4
(1~(S)3~(R)3~(a)~(R)6~(a)~(S))5(13benzodioxol5yl)1(1~(H)indol3ylmethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(1R3S3aS6aR)3((1Hindol3yl)methyl)5(benzo(d)(13)dioxol5yl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3R3S3aS6aR)5(13benzodioxol5yl)3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16402873
956936304
InChI=1SC29H22N4O5c34262421(1115133019731517(15)19)3229(18624820(18)3128(29)36)25(24)27(35)33(26)169102223(1216)38143722h11012132124253032H1114H2(H3136)t2124+2529m0s1
O=C1N(c2ccc3c(c2)OCO3)C(=O)(C@@H)2(C@H)1(C@H)(Cc1c(nH)c3c1cccc3)N(C@@)12C(=O)Nc2c1cccc2
ZINC000015957994
ZINC15957994

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Available files

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