Vitas-M small molecule compound

ethyl 2-({2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK216047
SMILES CCOC(=O)c1c(NC(=O)C(Sc2nnc3c(n2)n(C)c2c3cccc2)CC)sc2c1CCCC2

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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 C25H27N5O3S2 MW 509.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3S2/c1-4-17(35-25-26-21-20(28-29-25)14-10-6-8-12-16(14)30(21)3)22(31)27-23-19(24(32)33-5-2)15-11-7-9-13-18(15)34-23/h6,8,10,12,17H,4-5,7,9,11,13H2,1-3H3,(H,27,31)
InChIKey
IOIZBALQLHJWQM-UHFFFAOYSA-N
Synonyms
311787-42-5
311787425
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=NC4=C(C5=CC=CC=C5N4C)N=N3
ethyl2((2((5methyl5H(124)triazino(56b)indol3yl)sulfanyl)butanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((5methyl(124)triazino(56b)indol3yl)sulfanyl)butanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H27N5O3S2c1417(3525262120(282925)1410681216(14)30(21)3)22(31)272319(24(32)3352)1511791318(15)3423h68101217H45791113H213H3(H2731)
MFCD01239824
ZINC000009546398
ZINC000009546399

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Available files

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