Vitas-M small molecule compound

(1'S,3R,3'S,7a'S)-5''-chloro-7''-methyl-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
STK596029
SMILES Clc1cc(C)c2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)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 C33H26ClN3O3 MW 548.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26ClN3O3/c1-18-15-22(34)17-24-28(18)36-31(40)33(24)32(23-9-4-5-10-25(23)35-30(32)39)27(26-11-6-14-37(26)33)29(38)21-13-12-19-7-2-3-8-20(19)16-21/h2-5,7-10,12-13,15-17,26-27H,6,11,14H2,1H3,(H,35,39)(H,36,40)/t26-,27-,32+,33+/m0/s1
InChIKey
WPPQNQIKKSVHIQ-MRPYTORDSA-N
Synonyms
1013753-85-9
(1S3R3S7aS)5chloro7methyl1(naphthalen2ylcarbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
1013753859
5chloro7methyl1((naphthalen2yl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
CC1=C2C(=CC(=C1)Cl)C3(C(=O)N2)C4(C(C5N3CCC5)C(=O)C6=CC7=CC=CC=C7C=C6)C8=CC=CC=C8NC4=O
Clc1cc(C)c2c(c1)(C@)1(C(=O)N2)N2CCC(C@H)2(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)cccc2
Clc1cc(C)c2c(c1)C1(C(=O)N2)N2CCCC2C(C21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)cccc2
InChI=1SC33H26ClN3O3c1181522(34)172428(18)3631(40)33(24)32(239451025(23)3530(32)39)27(261161437(26)33)29(38)21131219723820(19)1621h25710121315172627H61114H21H3(H3539)(H3640)t262732+33+m0s1
ZINC000101347456
ZINC101347456

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Available files

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