Vitas-M small molecule compound
N-[1-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-4-methoxybenzamide
Catalog ID
STK221576
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)N1CCc2c(C1)cccc2)C
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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 C24H27N5O3S MW 465.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O3S/c1-16(25-23(31)18-8-10-20(32-3)11-9-18)22-26-27-24(28(22)2)33-15-21(30)29-13-12-17-6-4-5-7-19(17)14-29/h4-11,16H,12-15H2,1-3H3,(H,25,31)InChIKey
PRKQNDGMYBMANZ-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)N2CCC3=CC=CC=C3C2)NC(=O)C4=CC=C(C=C4)OC
InChI=1SC24H27N5O3Sc116(2523(31)1881020(323)11918)22262724(28(22)2)331521(30)29131217645719(17)1429h41116H1215H213H3(H2531)
MFCD07398855
N(1(5((2(34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
N(1(5(2(34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
ZINC000009263155
ZINC000009263157
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