Vitas-M small molecule compound
12-(4-methoxyphenyl)-9,9-dimethyl-2-[({[(1Z)-1-(4-methylphenyl)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
STK574455
SMILES COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)CO/N=C(\c1ccc(cc1)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 C31H31N5O4 MW 537.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N5O4/c1-18-6-8-20(9-7-18)19(2)35-39-16-25-33-29-28-26(21-10-12-22(38-5)13-11-21)27-23(37)14-31(3,4)15-24(27)40-30(28)32-17-36(29)34-25/h6-13,17,26H,14-16H2,1-5H3/b35-19-InChIKey
BZIKUWKWPBQLIA-KMUKQRDJSA-NSynonyms
843671-88-5(Z)12(4methoxyphenyl)99dimethyl2((((1(ptolyl)ethylidene)amino)oxy)methyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
12(4methoxyphenyl)99dimethyl2(((((1Z)1(4methylphenyl)ethylidene)amino)oxy)methyl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
843671885
CC1=CC=C(C=C1)C(=NOCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CC(CC5=O)(C)C)C6=CC=C(C=C6)OC)C
COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)CON=C(c1ccc(cc1)C)C)CC(CC2=O)(C)C
InChI=1SC31H31N5O4c1186820(9718)19(2)3539162533292826(21101222(385)131121)2723(37)1431(34)1524(27)4030(28)321736(29)3425h6131726H1416H215H3b3519
MFCD04163290
ZINC000101105274
ZINC000101105276
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