Vitas-M small molecule compound

(1'S,3R,3'S,7a'R)-5'',7''-dimethyl-1'-[(4-propoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STK593570
SMILES CCCOc1ccc(cc1)C(=O)[C@@H]1[C@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(C)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 C33H33N3O4 MW 535.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O4/c1-4-16-40-22-13-11-21(12-14-22)29(37)27-26-10-7-15-36(26)33(24-18-19(2)17-20(3)28(24)35-31(33)39)32(27)23-8-5-6-9-25(23)34-30(32)38/h5-6,8-9,11-14,17-18,26-27H,4,7,10,15-16H2,1-3H3,(H,34,38)(H,35,39)/t26-,27+,32-,33-/m1/s1
InChIKey
HKLDPCDOBCAEMP-RJYGDKEGSA-N
Synonyms
1014002-86-8
(1S3R3S7aR)57dimethyl1((4propoxyphenyl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aR)57dimethyl1((4propoxyphenyl)carbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
1014002868
CCCOC1=CC=C(C=C1)C(=O)C2C3CCCN3C4(C25C6=CC=CC=C6NC5=O)C7=CC(=CC(=C7NC4=O)C)C
CCCOc1ccc(cc1)C(=O)(C@@H)1(C@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(C)cc1C
InChI=1SC33H33N3O4c14164022131121(121422)29(37)27261071536(26)33(241819(2)1720(3)28(24)3531(33)39)32(27)23856925(23)3430(32)38h5689111417182627H47101516H213H3(H3438)(H3539)t2627+3233m1s1
MFCD18245965
ZINC000101366820
ZINC101366820

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Available files

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