Vitas-M small molecule compound
N-[(2E)-6-fluoro-1,3-benzothiazol-2(3H)-ylidene]-6,7-dimethoxy-1-methyl-1,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide
Catalog ID
STK648536
SMILES COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)/N=c\1/sc2c([nH]1)ccc(c2)F
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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 C21H17FN4O3S MW 424.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN4O3S/c1-26-19-12-9-16(29-3)15(28-2)7-10(12)6-13(19)18(25-26)20(27)24-21-23-14-5-4-11(22)8-17(14)30-21/h4-5,7-9H,6H2,1-3H3,(H,23,24,27)InChIKey
NNTDGDLGLDLTBC-UHFFFAOYSA-NSynonyms
1144452-10-71144452107
CN1C2=C(CC3=CC(=C(C=C32)OC)OC)C(=N1)C(=O)NC4=NC5=C(S4)C=C(C=C5)F
COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)N=c1sc2c((nH)1)ccc(c2)F
InChI=1SC21H17FN4O3Sc1261912916(293)15(282)710(12)613(19)18(2526)20(27)242123145411(22)817(14)3021h4579H6H213H3(H232427)
MFCD18164934
N((2E)6fluoro13benzothiazol2(3H)ylidene)67dimethoxy1methyl14dihydroindeno(12c)pyrazole3carboxamide
N(6fluoro13benzothiazol2yl)67dimethoxy1methyl4Hindeno(12c)pyrazole3carboxamide
ZINC000031817304
ZINC31817304
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