Vitas-M small molecule compound
(2'S,3S,3'S,10b'R)-3'-[(4-methoxyphenyl)carbonyl]-2'-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Catalog ID
STK586207
SMILES C=CCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC)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 C37H30N2O5 MW 582.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30N2O5/c1-3-22-44-27-18-14-24(15-19-27)33(40)31-32(34(41)25-12-16-26(43-2)17-13-25)39-21-20-23-8-4-5-9-28(23)35(39)37(31)29-10-6-7-11-30(29)38-36(37)42/h3-21,31-32,35H,1,22H2,2H3,(H,38,42)/t31-,32-,35+,37+/m0/s1InChIKey
NEVLUENNIWCDLF-UMKORLBGSA-NSynonyms
1212167-80-0(1S2S3S10bR)2(4(allyloxy)benzoyl)3(4methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((4methoxyphenyl)carbonyl)2((4(prop2en1yloxy)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(4methoxybenzoyl)2(4prop2enoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212167800
C=CCOc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)OC)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
COC1=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)OCC=C
InChI=1SC37H30N2O5c13224427181424(151927)33(40)3132(34(41)25121626(432)171325)39212023845928(23)35(39)37(31)2910671130(29)3836(37)42h321313235H122H22H3(H3842)t313235+37+m0s1
MFCD18158297
ZINC000101293713
ZINC101293713
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