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Vitas-M small molecule compound

ethyl 6-oxo-6-(2-oxo-5-{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2,3-dihydro-1H-imidazol-4-yl)hexanoate

Catalog ID
STK760436
SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c(n1)n(CCC)c1c2cccc1

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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 C24H28N6O4S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N6O4S/c1-3-13-30-17-10-6-5-9-15(17)20-22(30)27-24(29-28-20)35-14-16-21(26-23(33)25-16)18(31)11-7-8-12-19(32)34-4-2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3,(H2,25,26,33)
InChIKey
BRMZSYVDBJDZBU-UHFFFAOYSA-N
Synonyms
312532-23-3
312532233
6KETO6(2KETO5(((5PROPYL(124)TRIAZIN(56B)INDOL3YL)THIO)METHYL)4IMIDAZOLIN4YL)HEXANOICACIDETHYLESTER
6OXO6(2OXO5(((5PROPYL(124)TRIAZINO(56B)INDOL3YL)THIO)METHYL)13DIHYDROIMIDAZOL4YL)HEXANOICACIDETHYLESTER
CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=C(NC(=O)N4)C(=O)CCCCC(=O)OCC
CCOC(=O)CCCCC(=O)c1(nH)c(=O)(nH)c1CSc1nnc2c(n1)n(CCC)c1c2cccc1
ETHYL6OXIDANYLIDENE6(2OXIDANYLIDENE5((5PROPYL(124)TRIAZINO(56B)INDOL3YL)SULFANYLMETHYL)13DIHYDROIMIDAZOL4YL)HEXANOATE
ethyl6oxo6(2oxo5(((5propyl5H(124)triazino(56b)indol3yl)sulfanyl)methyl)23dihydro1Himidazol4yl)hexanoate
ETHYL6OXO6(2OXO5(((5PROPYL5H(124)TRIAZINO(56B)INDOL3YL)THIO)METHYL)23DIHYDRO1HIMIDAZOL4YL)HEXANOATE
ETHYL6OXO6(2OXO5((5PROPYL(124)TRIAZINO(56B)INDOL3YL)SULFANYLMETHYL)13DIHYDROIMIDAZOL4YL)HEXANOATE
InChI=1SC24H28N6O4Sc131330171065915(17)2022(30)2724(292820)35141621(2623(33)2516)18(31)11781219(32)3442h56910H34781114H212H3(H2252633)
MFCD01821665
ZINC000009761264
ZINC09761264
ZINC9761264

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Available files

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