Vitas-M small molecule compound

2'-(1,3-benzodioxol-5-ylcarbonyl)-5',7'-dimethyl-1'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL050560
SMILES Cc1ccc2c(c1)C(=CC1N2C(C(=O)c2cccs2)C(C21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2)C

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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 C34H26N2O5S MW 574.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26N2O5S/c1-18-9-11-24-21(14-18)19(2)15-28-34(22-6-3-4-7-23(22)35-33(34)39)29(30(36(24)28)32(38)27-8-5-13-42-27)31(37)20-10-12-25-26(16-20)41-17-40-25/h3-16,28-30H,17H2,1-2H3,(H,35,39)
InChIKey
BFOJAMMFFULLIJ-UHFFFAOYSA-N
Synonyms

(1S2S3R3aR)2(benzo(d)(13)dioxole5carbonyl)57dimethyl1(thiophene2carbonyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
2(13benzodioxol5ylcarbonyl)57dimethyl1(thiophen2ylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
2(13benzodioxole5carbonyl)57dimethyl1(thiophene2carbonyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CC1=CC2=C(C=C1)N3C(C=C2C)C4(C(C3C(=O)C5=CC=CS5)C(=O)C6=CC7=C(C=C6)OCO7)C8=CC=CC=C8NC4=O
Cc1ccc2c(c1)C(=C(C@H)1N2(C@H)(C(=O)c2cccs2)(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2)C
InChI=1SC34H26N2O5Sc1189112421(1418)19(2)152834(22634723(22)3533(34)39)29(30(36(24)28)32(38)2785134227)31(37)2010122526(1620)41174025h3162830H17H212H3(H3539)
MFCD05725470
ZINC000102887841
ZINC000245245176

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Available files

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