Vitas-M small molecule compound

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

Catalog ID
STK576485
SMILES O=C([C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C)c1ccc2c(c1)cccc2

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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 C34H29N3O3 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29N3O3/c1-19-13-16-25-29(20(19)2)36-32(40)34(25)33(24-10-5-6-11-26(24)35-31(33)39)28(27-12-7-17-37(27)34)30(38)23-15-14-21-8-3-4-9-22(21)18-23/h3-6,8-11,13-16,18,27-28H,7,12,17H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,33+,34+/m0/s1
InChIKey
YOTKJXYNGWBHAW-WCISARMNSA-N
Synonyms

(1S3R3S7aS)67dimethyl1(naphthalen2ylcarbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
67dimethyl1((naphthalen2yl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
CC1=C(C2=C(C=C1)C3(C(=O)N2)C4(C(C5N3CCC5)C(=O)C6=CC7=CC=CC=C7C=C6)C8=CC=CC=C8NC4=O)C
InChI=1SC34H29N3O3c11913162529(20(19)2)3632(40)34(25)33(2410561126(24)3531(33)39)28(271271737(27)34)30(38)23151421834922(21)1823h368111316182728H71217H212H3(H3539)(H3640)t272833+34+m0s1
MFCD18158097
O=C((C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C)c1ccc2c(c1)cccc2
O=C(C1C2CCCN2C2(C31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C)c1ccc2c(c1)cccc2
ZINC000102662352
ZINC102662352

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Available files

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