Vitas-M small molecule compound
5,6-dimethoxy-2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2,3-dihydro-1H-inden-1-one
Catalog ID
STK653852
SMILES C=CCn1c(nnc1c1ccc(cc1)OC)SC1Cc2c(C1=O)cc(c(c2)OC)OC
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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 C23H23N3O4S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S/c1-5-10-26-22(14-6-8-16(28-2)9-7-14)24-25-23(26)31-20-12-15-11-18(29-3)19(30-4)13-17(15)21(20)27/h5-9,11,13,20H,1,10,12H2,2-4H3InChIKey
QAISVHPHONNPOQ-UHFFFAOYSA-NSynonyms
1144463-47-71144463477
2((4allyl5(4methoxyphenyl)4H124triazol3yl)thio)56dimethoxy23dihydro1Hinden1one
56dimethoxy2((5(4methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)23dihydro1Hinden1one
56dimethoxy2((5(4methoxyphenyl)4prop2enyl124triazol3yl)sulfanyl)23dihydroinden1one
COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SC3CC4=CC(=C(C=C4C3=O)OC)OC
InChI=1SC23H23N3O4Sc15102622(146816(282)9714)242523(26)312012151118(293)19(304)1317(15)21(20)27h59111320H11012H224H3
MFCD12211421
ZINC000032072062
ZINC000032072064
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