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-(4-methoxyphenyl)ethanone
Catalog ID
STK218553
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)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/c1-4-12-26-22(20-13-16-6-5-7-19(29-3)21(16)30-20)24-25-23(26)31-14-18(27)15-8-10-17(28-2)11-9-15/h4-11,13H,1,12,14H2,2-3H3InChIKey
BFNRLDJAXRLKKI-UHFFFAOYSA-NSynonyms
2((4ALLYL5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)THIO)1(4METHOXYPHENYL)ETHANONE
2((5(7METHOXY1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5(7METHOXY1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC23H21N3O4Sc14122622(20131665719(293)21(16)3020)242523(26)311418(27)1581017(282)11915h41113H11214H223H3
MFCD06000351
ZINC000001074851
ZINC01074851
ZINC1074851
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