Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-2'-[(2-chlorophenyl)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
STK598696
SMILES CC(Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1Cl)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 C36H29ClN2O4 MW 589.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29ClN2O4/c1-21(2)43-24-17-15-23(16-18-24)32(40)31-30(33(41)26-11-5-7-13-28(26)37)36(27-12-6-8-14-29(27)38-35(36)42)34-25-10-4-3-9-22(25)19-20-39(31)34/h3-21,30-31,34H,1-2H3,(H,38,42)/t30-,31-,34+,36+/m0/s1
InChIKey
TWCBHMWSSWIGMU-UOWMXVQPSA-N
Synonyms
1212256-08-0
(1S2S3S10bR)2(2chlorobenzoyl)3(4isopropoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((2chlorophenyl)carbonyl)3((4(propan2yloxy)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(2chlorobenzoyl)3(4propan2yloxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212256080
CC(C)OC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=CC=C7Cl
CC(Oc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3)C
InChI=1SC36H29ClN2O4c121(2)4324171523(161824)32(40)3130(33(41)2611571328(26)37)36(2712681429(27)3835(36)42)34251043922(25)192039(31)34h321303134H12H3(H3842)t303134+36+m0s1
MFCD18158559
ZINC000101673127
ZINC101673127

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Available files

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