Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK592167
SMILES CC(c1[nH]n(c(=O)c1)c1nc2c(s1)cccc2)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 C13H13N3OS MW 259.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3OS/c1-8(2)10-7-12(17)16(15-10)13-14-9-5-3-4-6-11(9)18-13/h3-8,15H,1-2H3InChIKey
XDKLFCYEOSCEBQ-UHFFFAOYSA-NSynonyms
890593-50-71BENZOTHIAZOL2YL3(METHYLETHYL)PYRAZOL5OL
2(13benzothiazol2yl)5(propan2yl)12dihydro3Hpyrazol3one
2(13BENZOTHIAZOL2YL)5PROPAN2YL1HPYRAZOL3ONE
890593507
CC(C)C1=CC(=O)N(N1)C2=NC3=CC=CC=C3S2
CC(c1(nH)n(c(=O)c1)c1nc2c(s1)cccc2)C
InChI=1SC13H13N3OSc18(2)10712(17)16(1510)13149534611(9)1813h3815H12H3
MFCD08736392
ZINC000101798214
ZINC05481690
ZINC100129739
ZINC101798214
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