Vitas-M small molecule compound
3,6-dinitro-9-oxo-9H-fluorene-2,7-diyl bistricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Catalog ID
STL059332
SMILES O=C1c2cc(OC(=O)C34CC5CC(C4)CC(C3)C5)c(cc2c2c1cc(OC(=O)C13CC4CC(C3)CC(C1)C4)c(c2)[N+](=O)[O-])[N+](=O)[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 C35H34N2O9 MW 626.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N2O9/c38-31-25-9-29(45-32(39)34-11-17-1-18(12-34)3-19(2-17)13-34)27(36(41)42)7-23(25)24-8-28(37(43)44)30(10-26(24)31)46-33(40)35-14-20-4-21(15-35)6-22(5-20)16-35/h7-10,17-22H,1-6,11-16H2InChIKey
KMFMCXMPHCBQOF-UHFFFAOYSA-NSynonyms
(3r3r5r5r7r7r)36dinitro9oxo9Hfluorene27diylbis(adamantane1carboxylate)
(7(ADAMANTANE1CARBONYLOXY)36DINITRO9OXOFLUOREN2YL)ADAMANTANE1CARBOXYLATE
36dinitro9oxo9Hfluorene27diylbistricyclo(3311~37~)decane1carboxylate
C1C2CC3CC1CC(C2)(C3)C(=O)OC4=C(C=C5C6=CC(=C(C=C6C(=O)C5=C4)OC(=O)C78CC9CC(C7)CC(C9)C8)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC35H34N2O9c383125929(4532(39)341117118(1234)319(217)1334)27(36(41)42)723(25)24828(37(43)44)30(1026(24)31)4633(40)351420421(1535)622(520)1635h7101722H161116H2
O=C1c2cc(OC(=O)(C@)34CC5CC(C4)CC(C3)C5)c(cc2c2c1cc(OC(=O)(C@)13CC4CC(C3)CC(C1)C4)c(c2)(N+)(=O)(O))(N+)(=O)(O)
O=C1c2cc(OC(=O)C34CC5CC(C4)CC(C3)C5)c(cc2c2c1cc(OC(=O)C13CC4CC(C3)CC(C1)C4)c(c2)(N+)(=O)(O))(N+)(=O)(O)
ZINC000102899234
ZINC102899234
Check stock
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Check stock on Vitas-MAvailable files
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