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Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-2'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK589311
SMILES O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccn1)C(=O)Nc1c2cccc1)cccc3)c1ccc2c(c1)OCO2

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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 C33H23N3O5 MW 541.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23N3O5/c37-29(20-12-13-25-26(17-20)41-18-40-25)28-27(30(38)24-11-5-6-15-34-24)33(22-9-3-4-10-23(22)35-32(33)39)31-21-8-2-1-7-19(21)14-16-36(28)31/h1-17,27-28,31H,18H2,(H,35,39)/t27-,28-,31+,33+/m0/s1
InChIKey
ZGCVUOYYXWVGOI-TVNXZVQQSA-N
Synonyms
1177590-01-0
(1S2S3S10bR)3(benzo(d)(13)dioxole5carbonyl)2picolinoyl310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3(13benzodioxol5ylcarbonyl)2(pyridin2ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(13benzodioxole5carbonyl)2(pyridine2carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177590010
C1OC2=C(O1)C=C(C=C2)C(=O)C3C(C4(C5N3C=CC6=CC=CC=C56)C7=CC=CC=C7NC4=O)C(=O)C8=CC=CC=N8
InChI=1SC33H23N3O5c3729(2012132526(1720)41184025)2827(30(38)241156153424)33(229341023(22)3532(33)39)3121821719(21)141636(28)31h117272831H18H2(H3539)t272831+33+m0s1
MFCD18245850
O=C((C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccccn1)C(=O)Nc1c2cccc1)cccc3)c1ccc2c(c1)OCO2
ZINC000101333016
ZINC101333016

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Available files

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