Vitas-M small molecule compound
methyl 1-({[4-({(E)-[5-(phenoxymethyl)furan-2-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Catalog ID
STL398992
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1ccc(o1)COc1ccccc1
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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 C20H18N6O4S MW 438.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O4S/c1-28-19(27)18-9-10-25(24-18)14-31-20-23-21-13-26(20)22-11-16-7-8-17(30-16)12-29-15-5-3-2-4-6-15/h2-11,13H,12,14H2,1H3/b22-11+InChIKey
WFDZRSPNCBDHSL-SSDVNMTOSA-NSynonyms
1005636-17-81005636178
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=CC=C(O3)COC4=CC=CC=C4
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1ccc(o1)COc1ccccc1
InChI=1SC20H18N6O4Sc12819(27)1891025(2418)14312023211326(20)2211167817(3016)1229155324615h21113H1214H21H3b2211+
METHYL1(((4(((E)(5(PHENOXYMETHYL)FURAN2YL)METHYLIDENE)AMINO)4H124TRIAZOL3YL)SULFANYL)METHYL)1HPYRAZOLE3CARBOXYLATE
methyl1((4((E)(5(phenoxymethyl)furan2yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667831
ZINC000002733928
ZINC96576899
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