Vitas-M small molecule compound

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

Catalog ID
STL537096
SMILES Cc1ccc2c(c1)C(=C[C@H]1N2[C@H](C(=O)c2ccccc2)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2)C

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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 C36H28N2O5 MW 568.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28N2O5/c1-20-12-14-27-24(16-20)21(2)17-30-36(25-10-6-7-11-26(25)37-35(36)41)31(32(38(27)30)34(40)22-8-4-3-5-9-22)33(39)23-13-15-28-29(18-23)43-19-42-28/h3-18,30-32H,19H2,1-2H3,(H,37,41)/t30-,31+,32+,36-/m1/s1
InChIKey
XCICHDJMQPMFRE-RCFASBGUSA-N
Synonyms
1177934-86-9
(1~(S)2~(S)3~(R)3~(a)~(R))2(13benzodioxole5carbonyl)1benzoyl57dimethylspiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)2(13benzodioxol5ylcarbonyl)57dimethyl1(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)2(benzo(d)(13)dioxole5carbonyl)1benzoyl57dimethyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177934869
16399372
Cc1ccc2c(c1)C(=C(C@H)1N2(C@H)(C(=O)c2ccccc2)(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2)C
InChI=1SC36H28N2O5c12012142724(1620)21(2)173036(2510671126(25)3735(36)41)31(32(38(27)30)34(40)228435922)33(39)2313152829(1823)43194228h3183032H19H212H3(H3741)t3031+32+36m1s1
MFCD04143237
ZINC000070681116
ZINC70681116

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Available files

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