Vitas-M small molecule compound

(1'S,3R,3'S,7a'S)-6''-chloro-7''-methyl-1'-{[2-(prop-2-en-1-yloxy)phenyl]carbonyl}-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STK599604
SMILES C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)Cl

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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 C32H28ClN3O4 MW 554.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClN3O4/c1-3-17-40-25-13-7-4-9-19(25)28(37)26-24-12-8-16-36(24)32(21-14-15-22(33)18(2)27(21)35-30(32)39)31(26)20-10-5-6-11-23(20)34-29(31)38/h3-7,9-11,13-15,24,26H,1,8,12,16-17H2,2H3,(H,34,38)(H,35,39)/t24-,26-,31+,32+/m0/s1
InChIKey
ZKTGFBFBWWLPCC-IHAJHMTMSA-N
Synonyms

(1S3R3S7aS)6chloro7methyl1((2(prop2en1yloxy)phenyl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)6chloro7methyl1((2(prop2en1yloxy)phenyl)carbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
C=CCOc1ccccc1C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)Cl
CC1=C(C=CC2=C1NC(=O)C23C4(C(C5N3CCC5)C(=O)C6=CC=CC=C6OCC=C)C7=CC=CC=C7NC4=O)Cl
InChI=1SC32H28ClN3O4c131740251374919(25)28(37)26241281636(24)32(21141522(33)18(2)27(21)3530(32)39)31(26)2010561123(20)3429(31)38h3791113152426H18121617H22H3(H3438)(H3539)t242631+32+m0s1
MFCD18158576
ZINC000102680858
ZINC102680858

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Available files

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