Vitas-M small molecule compound

methyl 2-[({2-[2-(2,4-difluorophenoxy)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate

Catalog ID
STK435995
SMILES COC(=O)c1c(NC(=S)NNC(=O)C(Oc2ccc(cc2F)F)C)sc(c1c1ccccc1)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 C23H21F2N3O4S2 MW 505.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F2N3O4S2/c1-12(32-17-10-9-15(24)11-16(17)25)20(29)27-28-23(33)26-21-19(22(30)31-3)18(13(2)34-21)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,27,29)(H2,26,28,33)
InChIKey
YBGDXWNLFHDGRZ-UHFFFAOYSA-N
Synonyms

CC1=C(C(=C(S1)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)F)F)C(=O)OC)C3=CC=CC=C3
InChI=1SC23H21F2N3O4S2c112(321710915(24)1116(17)25)20(29)272823(33)262119(22(30)313)18(13(2)3421)147546814h412H13H3(H2729)(H2262833)
METHYL2((((2(24DIFLUOROPHENOXY)PROPANOYLAMINO)AMINO)THIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
methyl2(((2(2(24difluorophenoxy)propanoyl)hydrazinyl)carbonothioyl)amino)5methyl4phenylthiophene3carboxylate
METHYL2((2(24DIFLUOROPHENOXY)PROPANOYLAMINO)CARBAMOTHIOYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
MFCD03944393
ZINC000020294056
ZINC000020294059

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.