Vitas-M small molecule compound
9,9-dimethyl-12-phenyl-2-[({[(1E)-1-phenylethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STL235066
SMILES C/C(=N\OCc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CC(CC2=O)(C)C)/c1ccccc1
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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 C29H27N5O3 MW 493.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O3/c1-18(19-10-6-4-7-11-19)33-36-16-23-31-27-26-24(20-12-8-5-9-13-20)25-21(35)14-29(2,3)15-22(25)37-28(26)30-17-34(27)32-23/h4-13,17,24H,14-16H2,1-3H3/b33-18+InChIKey
KKXGYSQBXRLJOR-DPNNOFEESA-NSynonyms
847244-58-0(E)99dimethyl12phenyl2((((1phenylethylidene)amino)oxy)methyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
847244580
99dimethyl12phenyl2(((((1E)1phenylethylidene)amino)oxy)methyl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
CC(=NOCC1=NN2C=NC3=C(C2=N1)C(C4=C(O3)CC(CC4=O)(C)C)C5=CC=CC=C5)C6=CC=CC=C6
CC(=NOCc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CC(CC2=O)(C)C)c1ccccc1
InChI=1SC29H27N5O3c118(19106471119)3336162331272624(20128591320)2521(35)1429(23)1522(25)3728(26)301734(27)3223h4131724H1416H213H3b3318+
MFCD04174427
ZINC000009304368
ZINC000013770144
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