Vitas-M small molecule compound
N-{[4-ethyl-5-({2-[(2-hydroxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK297249
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1ccccc1O
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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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-2-26-18(10-22-20(29)13-7-8-16-17(9-13)31-12-30-16)24-25-21(26)32-11-19(28)23-14-5-3-4-6-15(14)27/h3-9,27H,2,10-12H2,1H3,(H,22,29)(H,23,28)InChIKey
LCACAWGIIYQFEZ-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4ETHYL5((2HYDROXYPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2O)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H21N5O5Sc122618(102220(29)13781617(913)31123016)242521(26)321119(28)2314534615(14)27h3927H21012H21H3(H2229)(H2328)
MFCD09960839
N((4ETHYL5((2((2HYDROXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4ethyl5(2(2hydroxyanilino)2oxoethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000013956054
ZINC13956054
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