Vitas-M small molecule compound
ethyl 5-({[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1-phenyl-1H-pyrazole-4-carboxylate
Catalog ID
STK759737
SMILES CCOC(=O)c1cnn(c1NC(=O)CSc1nnc2c(n1)n(CC)c1c2cccc1)c1ccccc1
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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 C25H23N7O3S MW 501.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N7O3S/c1-3-31-19-13-9-8-12-17(19)21-23(31)28-25(30-29-21)36-15-20(33)27-22-18(24(34)35-4-2)14-26-32(22)16-10-6-5-7-11-16/h5-14H,3-4,15H2,1-2H3,(H,27,33)InChIKey
ZSBHNEULPXKWGD-UHFFFAOYSA-NSynonyms
CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(C=NN4C5=CC=CC=C5)C(=O)OCC
ethyl5((((5ethyl5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)1phenyl1Hpyrazole4carboxylate
ETHYL5((2((5ETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)1PHENYLPYRAZOLE4CARBOXYLATE
InChI=1SC25H23N7O3Sc13311913981217(19)2123(31)2825(302921)361520(33)272218(24(34)3542)142632(22)16106571116h514H3415H212H3(H2733)
MFCD01572637
ZINC000008443766
ZINC08443766
ZINC8443766
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