Vitas-M small molecule compound
(E)-1-(2-methoxyphenyl)-N-[(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine
Catalog ID
STK580525
SMILES COc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-13-7-8-15-17(9-13)29-21-19(15)20-24-18(25-26(20)12-22-21)11-28-23-10-14-5-3-4-6-16(14)27-2/h3-6,10,12-13H,7-9,11H2,1-2H3/b23-10+InChIKey
JTQBRGPXOSNTLD-AUEPDCJTSA-NSynonyms
902315-15-5(E)1(2methoxyphenyl)N((9methyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidin2yl)methoxy)methanimine
(E)2methoxybenzaldehydeO((9methyl891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
902315155
CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CON=CC5=CC=CC=C5OC
COc1ccccc1C=NOCc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C
InChI=1SC21H21N5O2Sc113781517(913)292119(15)202418(2526(20)122221)1128231014534616(14)272h36101213H7911H212H3b2310+
MFCD06791922
ZINC000005348632
ZINC000005348634
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