Vitas-M small molecule compound
methyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Catalog ID
STK149817
SMILES COC(=O)c1ccccc1N/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-12(22-15-9-5-4-8-14(15)20(27)28-3)18-13(2)24-25(19(18)26)21-23-16-10-6-7-11-17(16)29-21/h4-11,22H,1-3H3/b18-12+InChIKey
ITBRMAOZGONTOB-LDADJPATSA-NSynonyms
(E)methyl2((1(1(benzo(d)thiazol2yl)3methyl5oxo1Hpyrazol4(5H)ylidene)ethyl)amino)benzoate
CC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2C(=O)OC)C3=NC4=CC=CC=C4S3
COC(=O)c1ccccc1NC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)C
InChI=1SC21H18N4O3Sc112(2215954814(15)20(27)283)1813(2)2425(19(18)26)21231610671117(16)2921h41122H13H3b1812+
METHYL2(((1BENZOTHIAZOL2YL3METHYL5OXO12DIAZOLIN4YLIDENE)ETHYL)AMINO)BENZOATE
METHYL2(((1E)1(1(13BENZOTHIAZOL2YL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)ETHYL)AMINO)BENZOATE
METHYL2(((1E)1(1(13BENZOTHIAZOL2YL)3METHYL5OXOPYRAZOL4YLIDENE)ETHYL)AMINO)BENZOATE
METHYL2(((1E)1(1(13BENZOTHIAZOL2YL)5HYDROXY3METHYL1HPYRAZOL4YL)ETHYLIDENE)AMINO)BENZOATE
MFCD04176941
ZINC000096435807
ZINC05721394
ZINC96435807
Check stock
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