Vitas-M small molecule compound
{(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-(2-methoxy-2-oxoethyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}(cyano)azanide
Catalog ID
STK007236
SMILES N#C[N-]/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 C16H12N5O3S MW 354.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O3S/c1-9(18-8-17)14-11(7-13(22)24-2)20-21(15(14)23)16-19-10-5-3-4-6-12(10)25-16/h3-6H,7H2,1-2H3,(H,18,20,23)/p-1InChIKey
WJSFGWWGIOGNDY-UHFFFAOYSA-MSynonyms
((1Z)1(1(13benzothiazol2yl)3(2methoxy2oxoethyl)5oxo15dihydro4Hpyrazol4ylidene)ethyl)(cyano)azanide
MFCD03784270
N#C(N)C(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)C
STK007236
ZINC000669632677
ZINC000669632678
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