Vitas-M small molecule compound
12-(3,4-dimethoxyphenyl)-2-[({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)methyl]-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270858
SMILES COc1ccc(cc1OC)/C=N/OCc1nc2n(n1)cnc1c2C(c2ccc(c(c2)OC)OC)C2=C(O1)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 C32H33N5O7 MW 599.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N5O7/c1-32(2)13-20(38)28-25(14-32)44-31-29(27(28)19-8-10-22(40-4)24(12-19)42-6)30-35-26(36-37(30)17-33-31)16-43-34-15-18-7-9-21(39-3)23(11-18)41-5/h7-12,15,17,27H,13-14,16H2,1-6H3/b34-15+InChIKey
ADSYHGMZISEKNB-PUHLOBNQSA-NSynonyms
12(34dimethoxyphenyl)2(((((E)(34dimethoxyphenyl)methylidene)amino)oxy)methyl)99dimethyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CON=CC5=CC(=C(C=C5)OC)OC)C6=CC(=C(C=C6)OC)OC)C(=O)C1)C
COc1ccc(cc1OC)C=NOCc1nc2n(n1)cnc1c2C(c2ccc(c(c2)OC)OC)C2=C(O1)CC(CC2=O)(C)C
InChI=1SC32H33N5O7c132(2)1320(38)2825(1432)443129(27(28)1981022(404)24(1219)426)303526(3637(30)173331)16433415187921(393)23(1118)415h712151727H131416H216H3b3415+
MFCD08087882
ZINC000097962040
ZINC000097962042
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