Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK666920
SMILES CCO/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)/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 C17H17N3O4S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4S/c1-4-24-10(2)15-12(9-14(21)23-3)19-20(16(15)22)17-18-11-7-5-6-8-13(11)25-17/h5-8H,4,9H2,1-3H3/b15-10-InChIKey
IJYMQNNYJOMRBU-GDNBJRDFSA-NSynonyms
CCOC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)C
CCOC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)C
InChI=1SC17H17N3O4Sc142410(2)1512(914(21)233)1920(16(15)22)171811756813(11)2517h58H49H213H3b1510
methyl((4Z)1(13benzothiazol2yl)4(1ethoxyethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)4(1ETHOXYETHYLIDENE)5OXOPYRAZOL3YL)ACETATE
MFCD06014418
ZINC000012412126
ZINC12412126
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