Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(3-methoxyphenyl)carbonyl]-2'-(pyridin-4-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK573157
SMILES COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccncc1)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 C33H25N3O4 MW 527.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25N3O4/c1-40-23-9-6-8-22(19-23)30(38)28-27(29(37)21-13-16-34-17-14-21)33(25-11-4-5-12-26(25)35-32(33)39)31-24-10-3-2-7-20(24)15-18-36(28)31/h2-19,27-28,31H,1H3,(H,35,39)/t27-,28-,31+,33+/m0/s1
InChIKey
LFCCPZANDPNIPA-TVNXZVQQSA-N
Synonyms
1177739-48-8
(1S2S3S10bR)2isonicotinoyl3(3methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((3methoxyphenyl)carbonyl)2(pyridin4ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(3methoxybenzoyl)2(pyridine4carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177739488
COC1=CC=CC(=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=NC=C7
COc1cccc(c1)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)cccc3
InChI=1SC33H25N3O4c1402396822(1923)30(38)2827(29(37)21131634171421)33(2511451226(25)3532(33)39)31241032720(24)151836(28)31h219272831H1H3(H3539)t272831+33+m0s1
MFCD18245467
ZINC000101265939
ZINC101265939

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Available files

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