Vitas-M small molecule compound
(4E)-1-(3,4-dimethylphenyl)-4-[3-methoxy-4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)benzylidene]pyrazolidine-3,5-dione
Catalog ID
STL432870
SMILES COc1cc(ccc1Oc1nc2ccccc2n2c1nnn2)/C=C/1\C(=O)NN(C1=O)c1ccc(c(c1)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 C27H21N7O4 MW 507.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N7O4/c1-15-8-10-18(12-16(15)2)33-27(36)19(25(35)30-33)13-17-9-11-22(23(14-17)37-3)38-26-24-29-31-32-34(24)21-7-5-4-6-20(21)28-26/h4-14H,1-3H3,(H,30,35)/b19-13+InChIKey
LXYXLOKZEJUIGZ-CPNJWEJPSA-NSynonyms
(4E)1(34dimethylphenyl)4((3methoxy4(tetrazolo(15a)quinoxalin4yloxy)phenyl)methylidene)pyrazolidine35dione
(4E)1(34dimethylphenyl)4(3methoxy4(tetrazolo(15a)quinoxalin4yloxy)benzylidene)pyrazolidine35dione
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC4=NC5=CC=CC=C5N6C4=NN=N6)OC)C(=O)N2)C
COc1cc(ccc1Oc1nc2ccccc2n2c1nnn2)C=C1C(=O)NN(C1=O)c1ccc(c(c1)C)C
InChI=1SC27H21N7O4c11581018(1216(15)2)3327(36)19(25(35)3033)131791122(23(1417)373)38262429313234(24)21754620(21)2826h414H13H3(H3035)b1913+
MFCD07433606
ZINC000039370705
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