Vitas-M small molecule compound
(2'S,3S,3'S,10b'R)-3'-[(4-chlorophenyl)carbonyl]-2'-{[2-(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
STK589692
SMILES C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)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 C36H27ClN2O4 MW 587.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27ClN2O4/c1-2-21-43-29-14-8-5-11-26(29)33(41)30-31(32(40)23-15-17-24(37)18-16-23)39-20-19-22-9-3-4-10-25(22)34(39)36(30)27-12-6-7-13-28(27)38-35(36)42/h2-20,30-31,34H,1,21H2,(H,38,42)/t30-,31-,34+,36+/m0/s1InChIKey
ZSWWIYGNKMRIHO-UOWMXVQPSA-NSynonyms
1212112-01-0(1S2S3S10bR)2(2(allyloxy)benzoyl)3(4chlorobenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((4chlorophenyl)carbonyl)2((2(prop2en1yloxy)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(4chlorobenzoyl)2(2prop2enoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212112010
C=CCOC1=CC=CC=C1C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=C(C=C7)Cl
C=CCOc1ccccc1C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)Cl)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC36H27ClN2O4c1221432914851126(29)33(41)3031(32(40)23151724(37)181623)392019229341025(22)34(39)36(30)2712671328(27)3835(36)42h220303134H121H2(H3842)t303134+36+m0s1
MFCD18158366
ZINC000101318608
ZINC101318608
Check stock
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Check stock on Vitas-MAvailable files
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