Vitas-M small molecule compound
4-({(2'S,3S,3'S,10b'R)-2'-[(4-methylphenyl)carbonyl]-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl}carbonyl)phenyl acetate
Catalog ID
STK589677
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)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 C36H28N2O5 MW 568.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28N2O5/c1-21-11-13-24(14-12-21)32(40)30-31(33(41)25-15-17-26(18-16-25)43-22(2)39)38-20-19-23-7-3-4-8-27(23)34(38)36(30)28-9-5-6-10-29(28)37-35(36)42/h3-20,30-31,34H,1-2H3,(H,37,42)/t30-,31-,34+,36+/m0/s1InChIKey
JRJGQCRYAOSKLQ-UOWMXVQPSA-NSynonyms
(4((2S3S3S10bR)2(4methylbenzoyl)2oxospiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)3carbonyl)phenyl)acetate
4(((2S3S3S10bR)2((4methylphenyl)carbonyl)2oxo1223tetrahydro10bHspiro(indole31pyrrolo(21a)isoquinolin)3yl)carbonyl)phenylacetate
4((1S2S3S10bR)2(4methylbenzoyl)2oxo310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)3ylcarbonyl)phenylacetate
CC(=O)Oc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)cccc3
CC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=C(C=C7)OC(=O)C
InChI=1SC36H28N2O5c121111324(141221)32(40)3031(33(41)25151726(181625)4322(2)39)38201923734827(23)34(38)36(30)289561029(28)3735(36)42h320303134H12H3(H3742)t303134+36+m0s1
MFCD18158365
ZINC000101589746
ZINC101589746
Check stock
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