Vitas-M small molecule compound

3,3,6,6-tetramethyl-9-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK673740
SMILES CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])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 C28H35N3O5 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O5/c1-27(2)13-20(32)25-22(15-27)36-23-16-28(3,4)14-21(33)26(23)24(25)17-6-7-18(19(12-17)31(34)35)30-10-8-29(5)9-11-30/h6-7,12,24H,8-11,13-16H2,1-5H3
InChIKey
BEEACHYNUSEXNL-UHFFFAOYSA-N
Synonyms

3366tetramethyl9(4(4methylpiperazin1yl)3nitrophenyl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(4(4methylpiperazin1yl)3nitrophenyl)4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)N5CCN(CC5)C)(N+)(=O)(O))C(=O)C1)C
CN1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
InChI=1SC28H35N3O5c127(2)1320(32)2522(1527)36231628(34)1421(33)26(23)24(25)176718(19(1217)31(34)35)3010829(5)91130h671224H8111316H215H3
MFCD01035972
ZINC000004004635
ZINC4004635

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Available files

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