Vitas-M small molecule compound

methyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STL399172
SMILES COC(=O)c1c(NC(=O)Cn2nc(cc2C(F)F)C(F)F)sc2c1CCCCC2

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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 C18H19F4N3O3S MW 433.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F4N3O3S/c1-28-18(27)14-9-5-3-2-4-6-12(9)29-17(14)23-13(26)8-25-11(16(21)22)7-10(24-25)15(19)20/h7,15-16H,2-6,8H2,1H3,(H,23,26)
InChIKey
FCBUNRVXXRIYMO-UHFFFAOYSA-N
Synonyms
512825-39-7
512825397
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C(=CC(=N3)C(F)F)C(F)F
InChI=1SC18H19F4N3O3Sc12818(27)1495324612(9)2917(14)2313(26)82511(16(21)22)710(2425)15(19)20h71516H268H21H3(H2326)
methyl2(((35bis(difluoromethyl)1Hpyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2(35bis(difluoromethyl)pyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03468667
ZINC000002735578
ZINC02735578
ZINC2735578

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Available files

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