Vitas-M small molecule compound
2-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-N-(2-ethylphenyl)acetamide
Catalog ID
STK221697
SMILES CCc1ccccc1NC(=O)Cc1nnc(n1CC)SCC(=O)N1CCc2c(C1)cccc2
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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 C25H29N5O2S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2S/c1-3-18-9-7-8-12-21(18)26-23(31)15-22-27-28-25(30(22)4-2)33-17-24(32)29-14-13-19-10-5-6-11-20(19)16-29/h5-12H,3-4,13-17H2,1-2H3,(H,26,31)InChIKey
LWHYMSRVCNLMIF-UHFFFAOYSA-NSynonyms
2(5((2(34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)N(2ETHYLPHENYL)ACETAMIDE
2(5(2(34dihydro1Hisoquinolin2yl)2oxoethyl)sulfanyl4ethyl124triazol3yl)N(2ethylphenyl)acetamide
CCC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC)SCC(=O)N3CCC4=CC=CC=C4C3
InChI=1SC25H29N5O2Sc13189781221(18)2623(31)1522272825(30(22)42)331724(32)2914131910561120(19)1629h512H341317H212H3(H2631)
MFCD07399417
ZINC000009263666
ZINC09263666
ZINC9263666
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