Vitas-M small molecule compound
N-{[5-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK116128
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)C)nnc1CNC(=O)c1ccc2c(c1)OCO2
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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 C22H22ClN5O4S MW 487.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O4S/c1-3-28-19(10-24-21(30)14-5-7-17-18(8-14)32-12-31-17)26-27-22(28)33-11-20(29)25-15-6-4-13(2)16(23)9-15/h4-9H,3,10-12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
YEXPHMAASCHIIJ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)Cl)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC22H22ClN5O4Sc132819(102421(30)14571718(814)32123117)262722(28)331120(29)25156413(2)16(23)915h49H31012H212H3(H2430)(H2529)
MFCD04128363
N((5((2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009260625
ZINC09260625
ZINC9260625
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