Vitas-M small molecule compound
2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK219184
SMILES C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1c1cc2c(o1)c(OC)ccc2
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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 C22H18N4O5S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5S/c1-3-10-25-21(19-12-15-7-5-9-18(30-2)20(15)31-19)23-24-22(25)32-13-17(27)14-6-4-8-16(11-14)26(28)29/h3-9,11-12H,1,10,13H2,2H3InChIKey
XFPOFSNVAZACFT-UHFFFAOYSA-NSynonyms
2((5(7METHOXY1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(7METHOXY1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
C=CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1c1cc2c(o1)c(OC)ccc2
COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H18N4O5Sc13102521(19121575918(302)20(15)3119)232422(25)321317(27)1464816(1114)26(28)29h391112H11013H22H3
MFCD06007044
ZINC000001064915
ZINC01064915
ZINC1064915
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