Vitas-M small molecule compound
N-[(5-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK245764
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccc(cc1Cl)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 C21H18Cl2N4O4S MW 493.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N4O4S/c1-2-27-19(9-24-20(29)12-3-6-17-18(7-12)31-11-30-17)25-26-21(27)32-10-16(28)14-5-4-13(22)8-15(14)23/h3-8H,2,9-11H2,1H3,(H,24,29)InChIKey
XAPOGZSXXCVRRN-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5(2(24DICHLOROPHENYL)2OXOETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H18Cl2N4O4Sc122719(92420(29)12361718(712)31113017)252621(27)321016(28)145413(22)815(14)23h38H2911H21H3(H2429)
MFCD08670477
N((5((2(24DICHLOROPHENYL)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(24dichlorophenyl)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009328046
ZINC09328046
ZINC9328046
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