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-methoxyphenyl)ethanone
Catalog ID
STK267153
SMILES C=CCn1c(SCC(=O)c2cccc(c2)OC)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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-4-11-26-22(20-13-16-8-6-10-19(29-3)21(16)30-20)24-25-23(26)31-14-18(27)15-7-5-9-17(12-15)28-2/h4-10,12-13H,1,11,14H2,2-3H3InChIKey
ICZRNUAMMKZSKW-UHFFFAOYSA-NSynonyms
2((5(7METHOXY1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(3METHOXYPHENYL)ETHANONE
2((5(7methoxy1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)1(3methoxyphenyl)ethanone
2(4ALLYL5(7METHOXYBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)1(3METHOXYPHENYL)ETHANONE
COC1=CC=CC(=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC23H21N3O4Sc14112622(201316861019(293)21(16)3020)242523(26)311418(27)1575917(1215)282h4101213H11114H223H3
MFCD09267802
ZINC000009582811
ZINC09582811
ZINC9582811
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