Vitas-M small molecule compound

9-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK831511
SMILES COc1ccc(cc1Cn1nnc2c1cccc2)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 C31H33N3O4 MW 511.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O4/c1-30(2)13-22(35)28-25(15-30)38-26-16-31(3,4)14-23(36)29(26)27(28)18-10-11-24(37-5)19(12-18)17-34-21-9-7-6-8-20(21)32-33-34/h6-12,27H,13-17H2,1-5H3
InChIKey
VKWOHZHSACNWNY-UHFFFAOYSA-N
Synonyms
380589-02-6
380589026
9(3((1Hbenzo(d)(123)triazol1yl)methyl)4methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3(1Hbenzotriazol1ylmethyl)4methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3(benzotriazol1ylmethyl)4methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)CN5C6=CC=CC=C6N=N5)C(=O)C1)C
InChI=1SC31H33N3O4c130(2)1322(35)2825(1530)38261631(34)1423(36)29(26)27(28)18101124(375)19(1218)173421976820(21)323334h61227H1317H215H3
MFCD02606868
ZINC000000872740
ZINC00872740
ZINC872740

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Available files

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