Vitas-M small molecule compound

7'-({(Z)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione

Catalog ID
STK577119
SMILES CCC(N1C(=NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S)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 C26H30N6O5S MW 538.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O5S/c1-5-14(2)32-21(34)17(20(33)28-24(32)38)13-27-16-8-9-18-15(11-16)12-26(19-7-6-10-31(18)19)22(35)29(3)25(37)30(4)23(26)36/h8-9,11,13-14,19,27H,5-7,10,12H2,1-4H3,(H,28,33,38)/b17-13-
InChIKey
FYJLHBITUFEPJX-LGMDPLHJSA-N
Synonyms

(Z)7(((1(secbutyl)2mercapto46dioxo16dihydropyrimidin5(4H)ylidene)methyl)amino)13dimethyl233a5tetrahydro1H1Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(3H)trione
7(((Z)(1(butan2yl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)t
7(((Z)(1butan2yl46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)13dimethylspiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
CCC(C)N1C(=O)C(=CNC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=CNc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)S)C
InChI=1SC26H30N6O5Sc1514(2)3221(34)17(20(33)2824(32)38)132716891815(1116)1226(19761031(18)19)22(35)29(3)25(37)30(4)23(26)36h891113141927H571012H214H3(H283338)b1713
MFCD06794195
ZINC000101366000
ZINC000101366008

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Available files

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