Vitas-M small molecule compound
methyl 2-{[1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylhydrazinyl)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK683069
SMILES COC(=O)c1c(sc2c1CCCC2)NC(C(F)(F)F)(C(=O)OC)NNc1ccccc1
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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 C20H22F3N3O4S MW 457.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F3N3O4S/c1-29-17(27)15-13-10-6-7-11-14(13)31-16(15)24-19(18(28)30-2,20(21,22)23)26-25-12-8-4-3-5-9-12/h3-5,8-9,24-26H,6-7,10-11H2,1-2H3InChIKey
AQDBJUKIZYCWEJ-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(C(=O)OC)(C(F)(F)F)NNC3=CC=CC=C3
InChI=1SC20H22F3N3O4Sc12917(27)151310671114(13)3116(15)2419(18(28)30220(2122)23)2625128435912h35892426H671011H212H3
methyl2((111trifluoro3methoxy3oxo2(2phenylhydrazinyl)propan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04061939
ZINC000012417733
ZINC000012417735
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