Vitas-M small molecule compound
3-chloro-N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-benzofuran-2-carboxamide
Catalog ID
STL088657
SMILES CCc1nnc2n1nc(s2)c1ccc(cc1)NC(=O)c1oc2c(c1Cl)cccc2
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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 C20H14ClN5O2S MW 423.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN5O2S/c1-2-15-23-24-20-26(15)25-19(29-20)11-7-9-12(10-8-11)22-18(27)17-16(21)13-5-3-4-6-14(13)28-17/h3-10H,2H2,1H3,(H,22,27)InChIKey
MRLWMBDYAREXAP-UHFFFAOYSA-NSynonyms
3chloroN(4(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)1benzofuran2carboxamide
CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5O4)Cl
InChI=1SC20H14ClN5O2Sc121523242026(15)2519(2920)117912(10811)2218(27)1716(21)13534614(13)2817h310H2H21H3(H2227)
MFCD14857087
ZINC000041091619
ZINC41091619
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