Vitas-M small molecule compound

(1'S,3R,3'S,7a'S)-7''-ethyl-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
STK571913
SMILES CCc1cccc2c1NC(=O)[C@@]12N2CCC[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 C34H29N3O3 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29N3O3/c1-2-20-11-7-13-25-29(20)36-32(40)34(25)33(24-12-5-6-14-26(24)35-31(33)39)28(27-15-8-18-37(27)34)30(38)23-17-16-21-9-3-4-10-22(21)19-23/h3-7,9-14,16-17,19,27-28H,2,8,15,18H2,1H3,(H,35,39)(H,36,40)/t27-,28-,33+,34+/m0/s1
InChIKey
QYQDPBFSISDNBS-WCISARMNSA-N
Synonyms

(1S3R3S7aS)7ethyl1(naphthalen2ylcarbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
7ethyl1((naphthalen2yl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
CCC1=CC=CC2=C1NC(=O)C23C4(C(C5N3CCC5)C(=O)C6=CC7=CC=CC=C7C=C6)C8=CC=CC=C8NC4=O
CCc1cccc2c1NC(=O)(C@@)12N2CCC(C@H)2(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)cccc2
CCc1cccc2c1NC(=O)C12N2CCCC2C(C21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)cccc2
InChI=1SC34H29N3O3c1220117132529(20)3632(40)34(25)33(2412561426(24)3531(33)39)28(271581837(27)34)30(38)231716219341022(21)1923h379141617192728H281518H21H3(H3539)(H3640)t272833+34+m0s1
MFCD18158008
ZINC000102657698
ZINC102657698

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Available files

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