Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-{5-[(3-chlorophenoxy)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STK314293
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1ccc(o1)COc1cccc(c1)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 C20H17ClN6O4S MW 472.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN6O4S/c1-29-19(28)18-7-8-26(25-18)13-32-20-24-22-12-27(20)23-10-16-5-6-17(31-16)11-30-15-4-2-3-14(21)9-15/h2-10,12H,11,13H2,1H3/b23-10+InChIKey
WVJKADXXWXVENA-AUEPDCJTSA-NSynonyms
1005701-78-91005701789
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=CC=C(O3)COC4=CC(=CC=C4)Cl
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1ccc(o1)COc1cccc(c1)Cl
InChI=1SC20H17ClN6O4Sc12919(28)187826(2518)13322024221227(20)2310165617(3116)11301542314(21)915h21012H1113H21H3b2310+
methyl1(((4(((E)(5((3chlorophenoxy)methyl)furan2yl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(5((3chlorophenoxy)methyl)furan2yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667639
ZINC000002733648
ZINC96603105
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