Vitas-M small molecule compound
3,4-dichloro-N-{[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK124019
SMILES COc1ccccc1NC(=O)CSc1nnc(n1C)CNC(=O)c1ccc(c(c1)Cl)Cl
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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 C20H19Cl2N5O3S MW 480.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2N5O3S/c1-27-17(10-23-19(29)12-7-8-13(21)14(22)9-12)25-26-20(27)31-11-18(28)24-15-5-3-4-6-16(15)30-2/h3-9H,10-11H2,1-2H3,(H,23,29)(H,24,28)InChIKey
KYPLOKIWVFGLHT-UHFFFAOYSA-NSynonyms
34DICHLORON((5((2((2METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DICHLORON((5(2(2METHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC20H19Cl2N5O3Sc12717(102319(29)127813(21)14(22)912)252620(27)311118(28)2415534616(15)302h39H1011H212H3(H2329)(H2428)
MFCD04213825
ZINC000001127566
ZINC01127566
ZINC1127566
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