Vitas-M small molecule compound
N-{1-[5-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-hydroxyethyl}-4-methoxybenzamide
Catalog ID
STK186751
SMILES CCOc1ccccc1NC(=O)CSc1nnc(n1C)C(NC(=O)c1ccc(cc1)OC)CO
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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 C23H27N5O5S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O5S/c1-4-33-19-8-6-5-7-17(19)24-20(30)14-34-23-27-26-21(28(23)2)18(13-29)25-22(31)15-9-11-16(32-3)12-10-15/h5-12,18,29H,4,13-14H2,1-3H3,(H,24,30)(H,25,31)InChIKey
HVLAMHAZBJIIEC-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)C(CO)NC(=O)C3=CC=C(C=C3)OC
InChI=1SC23H27N5O5Sc143319865717(19)2420(30)143423272621(28(23)2)18(1329)2522(31)1591116(323)121015h5121829H41314H213H3(H2430)(H2531)
MFCD06622238
N(1(5((2((2ETHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
N(1(5(2(2ETHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
ZINC000009262198
ZINC000009262201
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