Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-(1-{[2-(thiophen-2-yl)ethyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK234789
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCCc1cccs1)/C)c1nc2c(s1)cccc2
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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 C21H20N4O3S2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S2/c1-13(22-10-9-14-6-5-11-29-14)19-16(12-18(26)28-2)24-25(20(19)27)21-23-15-7-3-4-8-17(15)30-21/h3-8,11,22H,9-10,12H2,1-2H3/b19-13-InChIKey
WVEYWFXHNFBVEE-UYRXBGFRSA-NSynonyms
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NCCC4=CC=CS4
COC(=O)CC1=NN(C(=O)C1=C(NCCc1cccs1)C)c1nc2c(s1)cccc2
InChI=1SC21H20N4O3S2c113(221091465112914)1916(1218(26)282)2425(20(19)27)212315734817(15)3021h381122H91012H212H3b1913
methyl((4Z)1(13benzothiazol2yl)5oxo4(1((2(thiophen2yl)ethyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)5OXO4(1(2THIOPHEN2YLETHYLAMINO)ETHYLIDENE)PYRAZOL3YL)ACETATE
METHYL2(1BENZOTHIAZOL2YL5OXO4(((2(2THIENYL)ETHYL)AMINO)ETHYLIDENE)12DIAZOLIN3YL)ACETATE
MFCD07597924
ZINC000013165694
ZINC13165694
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