Vitas-M small molecule compound
N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL340767
SMILES O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1Cc1ccco1)c1nccnc1
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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 C21H19ClN6O2S MW 454.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O2S/c1-13-8-14(2)19(16(22)9-13)25-18(29)12-31-21-27-26-20(17-10-23-5-6-24-17)28(21)11-15-4-3-7-30-15/h3-10H,11-12H2,1-2H3,(H,25,29)InChIKey
KHDLYYNFWZLJQK-UHFFFAOYSA-NSynonyms
577986-45-9577986459
CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4)C
InChI=1SC21H19ClN6O2Sc113814(2)19(16(22)913)2518(29)123121272620(171023562417)28(21)11154373015h310H1112H212H3(H2529)
MFCD04022135
N(2chloro46dimethylphenyl)2((4(furan2ylmethyl)5(pyrazin2yl)4H124triazol3yl)sulfanyl)acetamide
N(2chloro46dimethylphenyl)2((4(furan2ylmethyl)5(pyrazin2yl)4H124triazol3yl)thio)acetamide
N(2CHLORO46DIMETHYLPHENYL)2((4(FURAN2YLMETHYL)5PYRAZIN2YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO46DIMETHYLPHENYL)2(4(2FURYLMETHYL)5PYRAZIN2YL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002349044
ZINC02349044
ZINC2349044
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