Vitas-M small molecule compound
12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-[({[(1E)-1-(thiophen-2-yl)ethylidene]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
STK575682
SMILES COc1ccc(cc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)CO/N=C(/c1cccs1)\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 C29H29N5O5S MW 559.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O5S/c1-16(22-7-6-10-40-22)33-38-14-23-31-27-26-24(17-8-9-19(36-4)20(11-17)37-5)25-18(35)12-29(2,3)13-21(25)39-28(26)30-15-34(27)32-23/h6-11,15,24H,12-14H2,1-5H3/b33-16+InChIKey
MDLQQAFQBRDZBI-MHDJOFBISA-NSynonyms
(E)12(34dimethoxyphenyl)99dimethyl2((((1(thiophen2yl)ethylidene)amino)oxy)methyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
12(34dimethoxyphenyl)99dimethyl2(((((1E)1(thiophen2yl)ethylidene)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(=C(C=C5)OC)OC)C6=CC=CS6
COc1ccc(cc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)CON=C(c1cccs1)C)CC(CC2=O)(C)C
InChI=1SC29H29N5O5Sc116(2276104022)3338142331272624(178919(364)20(1117)375)2518(35)1229(23)1321(25)3928(26)301534(27)3223h6111524H1214H215H3b3316+
MFCD04171105
ZINC000097967903
ZINC000097967904
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