Vitas-M small molecule compound

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

Catalog ID
STL530920
SMILES COc1cccc(c1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1Cl

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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 C29H24ClN3O4 MW 513.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O4/c1-37-17-8-4-7-16(15-17)25(34)23-22-13-6-14-33(22)29(19-10-5-11-20(30)24(19)32-27(29)36)28(23)18-9-2-3-12-21(18)31-26(28)35/h2-5,7-12,15,22-23H,6,13-14H2,1H3,(H,31,35)(H,32,36)/t22-,23-,28+,29+/m0/s1
InChIKey
XPWNEMQDAUIINP-BYSIJJKSSA-N
Synonyms
956911-47-0
(1S3R3S7aS)7chloro1((3methoxyphenyl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)7chloro1((3methoxyphenyl)carbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
~(N)(4butoxyphenyl)1(45dimethoxy3oxo1~(H)2benzofuran1yl)5oxopyrrolidine2carboxamide
16404028
956911470
COc1cccc(c1)C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1Cl
InChI=1SC25H28N2O7c1451433168615(7916)2623(29)18111320(28)27(18)2417101219(312)22(323)21(17)25(30)3424h610121824H45111314H213H3(H2629)
MFCD06765927
N(4BUTOXYPHENYL)1(45DIMETHOXY3OXO1H2BENZOFURAN1YL)5OXOPYRROLIDINE2CARBOXAMIDE
ZINC000061999304
ZINC61999304

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.