Vitas-M small molecule compound
ethyl 2-({[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK720026
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)n(CCC)c2c3cccc2)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/c1-3-13-30-17-11-7-5-9-15(17)21-22(30)27-25(29-28-21)34-14-19(31)26-23-20(24(32)33-4-2)16-10-6-8-12-18(16)35-23/h5,7,9,11H,3-4,6,8,10,12-14H2,1-2H3,(H,26,31)InChIKey
SRQBMNHGZTXSMQ-UHFFFAOYSA-NSynonyms
296896-82-7296896827
CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC
ethyl2((((5propyl5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5propyl(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H27N5O3S2c131330171175915(17)2122(30)2725(292821)341419(31)262320(24(32)3342)1610681218(16)3523h57911H3468101214H212H3(H2631)
MFCD01821571
ZINC000002186123
ZINC02186123
ZINC2186123
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