Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-2'-[(4-methoxyphenyl)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
STK597326
SMILES COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC(C)C)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 C37H32N2O5 MW 584.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H32N2O5/c1-22(2)44-27-18-14-25(15-19-27)34(41)32-31(33(40)24-12-16-26(43-3)17-13-24)37(29-10-6-7-11-30(29)38-36(37)42)35-28-9-5-4-8-23(28)20-21-39(32)35/h4-22,31-32,35H,1-3H3,(H,38,42)/t31-,32-,35+,37+/m0/s1
InChIKey
YSCMKDSHZLPNOM-UMKORLBGSA-N
Synonyms
1212306-73-4
(1S2S3S10bR)3(4isopropoxybenzoyl)2(4methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((4methoxyphenyl)carbonyl)3((4(propan2yloxy)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(4methoxybenzoyl)3(4propan2yloxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212306734
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=C(C=C7)OC
COc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)OC(C)C)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC37H32N2O5c122(2)4427181425(151927)34(41)3231(33(40)24121626(433)171324)37(2910671130(29)3836(37)42)3528954823(28)202139(32)35h422313235H13H3(H3842)t313235+37+m0s1
MFCD18158527
ZINC000101674011
ZINC101674011

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Available files

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