Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-2'-(1,3-benzodioxol-5-ylcarbonyl)-7'-methyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL530307
SMILES Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2

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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 C35H26N2O5 MW 554.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26N2O5/c1-20-11-14-26-22(17-20)13-16-29-35(24-9-5-6-10-25(24)36-34(35)40)30(31(37(26)29)33(39)21-7-3-2-4-8-21)32(38)23-12-15-27-28(18-23)42-19-41-27/h2-18,29-31H,19H2,1H3,(H,36,40)/t29-,30+,31+,35-/m1/s1
InChIKey
XPLLHDKAEAOFPM-ZXFZPVEDSA-N
Synonyms
1177447-27-6
(1~(S)2~(S)3~(R)3~(a)~(R))2(13benzodioxole5carbonyl)1benzoyl7methylspiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)2(13benzodioxol5ylcarbonyl)7methyl1(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)2(benzo(d)(13)dioxole5carbonyl)1benzoyl7methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177447276
16399877
Cc1ccc2c(c1)C=C(C@H)1N2(C@H)(C(=O)c2ccccc2)(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2
InChI=1SC35H26N2O5c12011142622(1720)13162935(249561025(24)3634(35)40)30(31(37(26)29)33(39)217324821)32(38)2312152728(1823)42194127h2182931H19H21H3(H3640)t2930+31+35m1s1
MFCD04146219
ZINC000070686867
ZINC70686867

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Available files

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