Vitas-M small molecule compound
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
Catalog ID
STL399572
SMILES O=C(c1ccn(n1)COc1ccccc1F)Nc1sc2c(c1C(=O)N)CCCCC2
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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 C21H21FN4O3S MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O3S/c22-14-7-4-5-8-16(14)29-12-26-11-10-15(25-26)20(28)24-21-18(19(23)27)13-6-2-1-3-9-17(13)30-21/h4-5,7-8,10-11H,1-3,6,9,12H2,(H2,23,27)(H,24,28)InChIKey
HTEJTTGRRLTPDI-UHFFFAOYSA-NSynonyms
1005670-34-71005670347
C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4F
InChI=1SC21H21FN4O3Sc2214745816(14)291226111015(2526)20(28)242118(19(23)27)136213917(13)3021h45781011H136912H2(H22327)(H2428)
MFCD04132727
N(3carbamoyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)1((2fluorophenoxy)methyl)1Hpyrazole3carboxamide
N(3carbamoyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)1((2fluorophenoxy)methyl)pyrazole3carboxamide
ZINC000002798272
ZINC02798272
ZINC2798272
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