Vitas-M small molecule compound

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

Catalog ID
STK584835
SMILES CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C

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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 C32H31N3O4 MW 521.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O4/c1-4-39-25-14-8-5-10-20(25)28(36)26-24-13-9-17-35(24)32(22-16-15-18(2)19(3)27(22)34-30(32)38)31(26)21-11-6-7-12-23(21)33-29(31)37/h5-8,10-12,14-16,24,26H,4,9,13,17H2,1-3H3,(H,33,37)(H,34,38)/t24-,26-,31+,32+/m0/s1
InChIKey
QEBRGKUXJSEWSI-IHAJHMTMSA-N
Synonyms

(1S3R3S7aS)1((2ethoxyphenyl)carbonyl)67dimethyl5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
1((2ethoxyphenyl)carbonyl)67dimethyl11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
CCOC1=CC=CC=C1C(=O)C2C3CCCN3C4(C25C6=CC=CC=C6NC5=O)C7=C(C(=C(C=C7)C)C)NC4=O
CCOc1ccccc1C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C
CCOc1ccccc1C(=O)C1C2CCCN2C2(C31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C
InChI=1SC32H31N3O4c14392514851020(25)28(36)26241391735(24)32(22161518(2)19(3)27(22)3430(32)38)31(26)2111671223(21)3329(31)37h58101214162426H491317H213H3(H3337)(H3438)t242631+32+m0s1
MFCD18158268
ZINC000102669545
ZINC102669545

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Available files

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