Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(3-methoxyphenyl)carbonyl]-2'-{[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
STK592296
SMILES COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)OC(C)C)C(=O)Nc1c2cccc1)cccc3

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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 C37H32N2O5 MW 584.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H32N2O5/c1-22(2)44-26-17-15-24(16-18-26)33(40)31-32(34(41)25-10-8-11-27(21-25)43-3)39-20-19-23-9-4-5-12-28(23)35(39)37(31)29-13-6-7-14-30(29)38-36(37)42/h4-22,31-32,35H,1-3H3,(H,38,42)/t31-,32-,35+,37+/m0/s1
InChIKey
DEEGGLHMMXTTDS-UMKORLBGSA-N
Synonyms
1212111-14-2
(1S2S3S10bR)2(4isopropoxybenzoyl)3(3methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((3methoxyphenyl)carbonyl)2((4(propan2yloxy)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(3methoxybenzoyl)2(4propan2yloxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212111142
CC(C)OC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC(=CC=C7)OC
COc1cccc(c1)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccc(cc1)OC(C)C)C(=O)Nc1c2cccc1)cccc3
InChI=1SC37H32N2O5c122(2)4426171524(161826)33(40)3132(34(41)251081127(2125)433)392019239451228(23)35(39)37(31)2913671430(29)3836(37)42h422313235H13H3(H3842)t313235+37+m0s1
MFCD18158407
ZINC000101673463
ZINC101673463

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Available files

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