Vitas-M small molecule compound
9-(5-bromothiophen-2-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK333580
SMILES Brc1ccc(s1)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
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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 C21H23BrO3S MW 435.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrO3S/c1-20(2)7-11(23)17-13(9-20)25-14-10-21(3,4)8-12(24)18(14)19(17)15-5-6-16(22)26-15/h5-6,19H,7-10H2,1-4H3InChIKey
LVCOHLVMHISJGW-UHFFFAOYSA-NSynonyms
9(5bromothiophen2yl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(5bromothiophen2yl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(S4)Br)C(=O)C1)C
InChI=1SC21H23BrO3Sc120(2)711(23)1713(920)25141021(34)812(24)18(14)19(17)155616(22)2615h5619H710H214H3
MFCD09963163
ZINC000018196065
ZINC18196065
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