Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-2'-[(2,4-dichlorophenyl)carbonyl]-3'-{[4-(propan-2-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK590422
SMILES CC(Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1Cl)Cl)C(=O)Nc1c2cccc1)cccc3)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 C36H28Cl2N2O4 MW 623.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28Cl2N2O4/c1-20(2)44-24-14-11-22(12-15-24)32(41)31-30(33(42)26-16-13-23(37)19-28(26)38)36(27-9-5-6-10-29(27)39-35(36)43)34-25-8-4-3-7-21(25)17-18-40(31)34/h3-20,30-31,34H,1-2H3,(H,39,43)/t30-,31-,34+,36+/m0/s1
InChIKey
NWLVKPXMVABOBZ-UOWMXVQPSA-N
Synonyms
1212274-08-2
(1S2S3S10bR)2(24dichlorobenzoyl)3(4isopropoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((24dichlorophenyl)carbonyl)3((4(propan2yloxy)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(24dichlorobenzoyl)3(4propan2yloxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212274082
CC(C)OC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=C(C=C(C=C7)Cl)Cl
CC(Oc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccc(cc1Cl)Cl)C(=O)Nc1c2cccc1)cccc3)C
InChI=1SC36H28Cl2N2O4c120(2)4424141122(121524)32(41)3130(33(42)26161323(37)1928(26)38)36(279561029(27)3935(36)43)3425843721(25)171840(31)34h320303134H12H3(H3943)t303134+36+m0s1
MFCD18158378
ZINC000101670073
ZINC101670073

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Available files

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