Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(4-chlorophenyl)carbonyl]-2'-[(4-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK580228
SMILES CCCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

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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 C36H29ClN2O4 MW 589.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29ClN2O4/c1-2-21-43-26-17-13-23(14-18-26)32(40)30-31(33(41)24-11-15-25(37)16-12-24)39-20-19-22-7-3-4-8-27(22)34(39)36(30)28-9-5-6-10-29(28)38-35(36)42/h3-20,30-31,34H,2,21H2,1H3,(H,38,42)/t30-,31-,34+,36+/m0/s1
InChIKey
XOKGYGURRAUQBS-UOWMXVQPSA-N
Synonyms
1177810-42-2
(1S2S3S10bR)3(4chlorobenzoyl)2(4propoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((4chlorophenyl)carbonyl)2((4propoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(4chlorobenzoyl)2(4propoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177810422
CCCOC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=C(C=C7)Cl
CCCOc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)Cl)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC36H29ClN2O4c12214326171323(141826)32(40)3031(33(41)24111525(37)161224)39201922734827(22)34(39)36(30)289561029(28)3835(36)42h320303134H221H21H3(H3842)t303134+36+m0s1
MFCD08284409
ZINC000101367613
ZINC101367613

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Available files

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