Vitas-M small molecule compound
3,3,6,6-tetramethyl-9-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK754619
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(c(c1)C)[N+](=O)[O-])C1=C(O2)CC(CC1=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 C28H29NO6 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6/c1-15-10-16(6-7-17(15)29(32)33)20-8-9-21(34-20)26-24-18(30)11-27(2,3)13-22(24)35-23-14-28(4,5)12-19(31)25(23)26/h6-10,26H,11-14H2,1-5H3InChIKey
ZQFVYCJJKKLWKW-UHFFFAOYSA-NSynonyms
3366tetramethyl9(5(3methyl4nitrophenyl)furan2yl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(5(3methyl4nitrophenyl)furan2yl)4579tetrahydro2Hxanthene18dione
CC1=C(C=CC(=C1)C2=CC=C(O2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C)(N+)(=O)(O)
InChI=1SC28H29NO6c1151016(6717(15)29(32)33)208921(3420)262418(30)1127(23)1322(24)35231428(45)1219(31)25(23)26h61026H1114H215H3
MFCD00826241
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(c(c1)C)(N+)(=O)(O))C1=C(O2)CC(CC1=O)(C)C
ZINC000000705281
ZINC00705281
ZINC705281
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