Vitas-M small molecule compound

(1'S,3R,3'S,7a'S)-5''-chloro-1'-[(2-ethoxyphenyl)carbonyl]-7''-methyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STK592745
SMILES CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1C

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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 C31H28ClN3O4 MW 542.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O4/c1-3-39-24-13-7-4-9-19(24)27(36)25-23-12-8-14-35(23)31(21-16-18(32)15-17(2)26(21)34-29(31)38)30(25)20-10-5-6-11-22(20)33-28(30)37/h4-7,9-11,13,15-16,23,25H,3,8,12,14H2,1-2H3,(H,33,37)(H,34,38)/t23-,25-,30+,31+/m0/s1
InChIKey
GKIKOHDMJGPJMJ-KDLQGFRMSA-N
Synonyms

(1S3R3S7aS)5chloro1((2ethoxyphenyl)carbonyl)7methyl5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
5chloro1((2ethoxyphenyl)carbonyl)7methyl11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
CCOC1=CC=CC=C1C(=O)C2C3CCCN3C4(C25C6=CC=CC=C6NC5=O)C7=CC(=CC(=C7NC4=O)C)Cl
CCOc1ccccc1C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1C
CCOc1ccccc1C(=O)C1C2CCCN2C2(C31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1C
InChI=1SC31H28ClN3O4c1339241374919(24)27(36)25231281435(23)31(211618(32)1517(2)26(21)3429(31)38)30(25)2010561122(20)3328(30)37h479111315162325H381214H212H3(H3337)(H3438)t232530+31+m0s1
MFCD18158413
ZINC000102676470
ZINC102676470

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Available files

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