Vitas-M small molecule compound
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-hydroxy-8-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-2H-chromen-2-one
Catalog ID
STK887948
SMILES Brc1ccc(cc1)c1csc(n1)c1cc2ccc(c(c2oc1=O)CN1CC2(CC1CC(C2)(C)C)C)O
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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 C29H29BrN2O3S MW 565.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O3S/c1-28(2)11-20-12-29(3,15-28)16-32(20)13-22-24(33)9-6-18-10-21(27(34)35-25(18)22)26-31-23(14-36-26)17-4-7-19(30)8-5-17/h4-10,14,20,33H,11-13,15-16H2,1-3H3InChIKey
FLSPKZMMXYJVNO-UHFFFAOYSA-NSynonyms
3(4(4BROMOPHENYL)13THIAZOL2YL)2OXO8((335TRIMETHYL7AZONIABICYCLO(321)OCTAN7YL)METHYL)CHROMEN7OLATE
3(4(4bromophenyl)13thiazol2yl)7hydroxy8((133trimethyl6azabicyclo(321)oct6yl)methyl)2Hchromen2one
3(4(4bromophenyl)thiazol2yl)7hydroxy8(((1R5S)133trimethyl6azabicyclo(321)octan6yl)methyl)2Hchromen2one
Brc1ccc(cc1)c1csc(n1)c1cc2ccc(c(c2oc1=O)CN1C(C@)2(C(C@@H)1CC(C2)(C)C)C)O
CC1(CC2CC(C1)(C(NH+)2CC3=C(C=CC4=C3OC(=O)C(=C4)C5=NC(=CS5)C6=CC=C(C=C6)Br)(O))C)C
InChI=1SC29H29BrN2O3Sc128(2)11201229(31528)1632(20)132224(33)96181021(27(34)3525(18)22)263123(143626)174719(30)8517h410142033H11131516H213H3
MFCD02167181
ZINC000100651009
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