Vitas-M small molecule compound
methyl 1-{[(4-{[(Z)-{5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STL396482
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C\c1ccc(o1)COc1ccc(c(c1)Cl)F
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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 C20H16ClFN6O4S MW 490.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClFN6O4S/c1-30-19(29)18-6-7-27(26-18)12-33-20-25-23-11-28(20)24-9-14-2-3-15(32-14)10-31-13-4-5-17(22)16(21)8-13/h2-9,11H,10,12H2,1H3/b24-9-InChIKey
FDNXIRWIJIZFKH-OPVMPGTRSA-NSynonyms
1005702-77-11005702771
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=CC=C(O3)COC4=CC(=C(C=C4)F)Cl
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1ccc(o1)COc1ccc(c(c1)Cl)F
InChI=1SC20H16ClFN6O4Sc13019(29)186727(2618)12332025231128(20)249142315(3214)1031134517(22)16(21)813h2911H1012H21H3b249
METHYL1(((4(((Z)(5((3CHLORO4FLUOROPHENOXY)METHYL)FURAN2YL)METHYLIDENE)AMINO)4H124TRIAZOL3YL)SULFANYL)METHYL)1HPYRAZOLE3CARBOXYLATE
methyl1((4((Z)(5((3chloro4fluorophenoxy)methyl)furan2yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667742
ZINC000022749099
ZINC2733811
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