Vitas-M small molecule compound

(2'S,3R,3'S,7a'S)-6'',7''-dimethyl-2'-(thiophen-2-ylcarbonyl)-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STL531066
SMILES O=C([C@@H]1[C@]2(C(=O)Nc3c2ccc(c3C)C)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2)c1cccs1

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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 C28H25N3O3S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S/c1-15-11-12-18-22(16(15)2)30-26(34)28(18)24(23(32)20-9-6-14-35-20)27(21-10-5-13-31(21)28)17-7-3-4-8-19(17)29-25(27)33/h3-4,6-9,11-12,14,21,24H,5,10,13H2,1-2H3,(H,29,33)(H,30,34)/t21-,24-,27+,28+/m0/s1
InChIKey
BXGGCEZGIVHCNS-LNNYYZMHSA-N
Synonyms
1175933-44-4
(11~(S))~(N)((2~(S))1(2(4chlorophenyl)ethylamino)1oxopropan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(2S3R3S7aS)67dimethyl2((thiophen2yl)carbonyl)11225677aoctahydro2Hdispiro(indole31pyrrolizine33indole)22dione
(2S3R3S7aS)67dimethyl2(thiophen2ylcarbonyl)5677atetrahydrodispiro(indole31pyrrolizine33indole)22(1H1H)dione
1175933444
16402179
InChI=1SC30H27ClN4O3c117(28(36)32151418101219(31)131118)3329(37)25162320645924(20)3426(23)2721723822(21)30(38)35(25)27h21317252734H1416H21H3(H3236)(H3337)t172527?m0s1
MFCD06493081
O=C((C@@H)1(C@)2(C(=O)Nc3c2ccc(c3C)C)N2(C@H)((C@)31C(=O)Nc1c3cccc1)CCC2)c1cccs1
ZINC000035363839
ZINC35363839

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Available files

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