Vitas-M small molecule compound
dimethyl 2-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STK143152
SMILES COC(=O)c1ccc(c(c1)N/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C)C(=O)OC
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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 C23H20N4O5S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S/c1-12(24-17-11-14(21(29)31-3)9-10-15(17)22(30)32-4)19-13(2)26-27(20(19)28)23-25-16-7-5-6-8-18(16)33-23/h5-11,24H,1-4H3/b19-12-InChIKey
NQOWHUDMIKHMAR-UNOMPAQXSA-NSynonyms
(Z)dimethyl2((1(1(benzo(d)thiazol2yl)3methyl5oxo1Hpyrazol4(5H)ylidene)ethyl)amino)terephthalate
CC1=NN(C(=O)C1=C(C)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=NC4=CC=CC=C4S3
COC(=O)c1ccc(c(c1)NC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)C)C(=O)OC
DIMETHYL2(((1E)1(1(13BENZOTHIAZOL2YL)5HYDROXY3METHYL1HPYRAZOL4YL)ETHYLIDENE)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2(((1Z)1(1(13BENZOTHIAZOL2YL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)ETHYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2(((1Z)1(1(13BENZOTHIAZOL2YL)3METHYL5OXOPYRAZOL4YLIDENE)ETHYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC23H20N4O5Sc112(24171114(21(29)313)91015(17)22(30)324)1913(2)2627(20(19)28)232516756818(16)3323h51124H14H3b1912
METHYL3(((1BENZOTHIAZOL2YL3METHYL5OXO(12DIAZOLIN4YLIDENE))ETHYL)AMINO)4(METHOXYCARBONYL)BENZOATE
MFCD03163287
ZINC000100423124
ZINC100423124
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