Vitas-M small molecule compound

9-(4-butylphenyl)-2,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione

Catalog ID
STK789197
SMILES CCCCc1ccc(cc1)n1sc2c(c1=S)c1cc(C)cc3c1N(C2(C)C)C(=O)C3=O

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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 C25H24N2O2S2 MW 448.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O2S2/c1-5-6-7-15-8-10-16(11-9-15)27-24(30)19-17-12-14(2)13-18-20(17)26(23(29)21(18)28)25(3,4)22(19)31-27/h8-13H,5-7H2,1-4H3
InChIKey
FNSRGRUFNQGTAU-UHFFFAOYSA-N
Synonyms
524056-22-2
524056222
9(4butylphenyl)277trimethyl10thioxo910dihydro4Hisothiazolo(54c)pyrrolo(321ij)quinoline45(7H)dione
9(4butylphenyl)277trimethyl10thioxo910dihydro7Hpyrrolo(321ij)(12)thiazolo(54c)quinoline45dione
CCCCC1=CC=C(C=C1)N2C(=S)C3=C(S2)C(N4C5=C(C=C(C=C35)C)C(=O)C4=O)(C)C
InChI=1SC25H24N2O2S2c15671581016(11915)2724(30)19171214(2)131820(17)26(23(29)21(18)28)25(34)22(19)3127h813H57H214H3
MFCD03615455
ZINC000002235085
ZINC02235085
ZINC2235085

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Available files

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