Vitas-M small molecule compound

ethyl 4-methyl-2-[(thiophen-2-ylcarbonyl)amino]-5-{[3-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate

Catalog ID
STK098817
SMILES CCOC(=O)c1c(sc(c1C)C(=O)Nc1cccc(c1)C(F)(F)F)NC(=O)c1cccs1

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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 C21H17F3N2O4S2 MW 482.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N2O4S2/c1-3-30-20(29)15-11(2)16(32-19(15)26-17(27)14-8-5-9-31-14)18(28)25-13-7-4-6-12(10-13)21(22,23)24/h4-10H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKey
HIIDJCPUGGGMGH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CC=CS3
CCOC(=O)c1c(sc(c1C)C(=O)Nc1cccc(c1)C(F)(F)F)NC(=O)c1cccs1
ETHYL4METHYL2((THIOPHEN2YLCARBONYL)AMINO)5((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
ETHYL4METHYL2(2THIENYLCARBONYLAMINO)5(N(3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
ETHYL4METHYL2(THIOPHENE2AMIDO)5((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
ETHYL4METHYL2(THIOPHENE2CARBONYLAMINO)5((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
InChI=1SC21H17F3N2O4S2c133020(29)1511(2)16(3219(15)2617(27)148593114)18(28)251374612(1013)21(2223)24h410H3H212H3(H2528)(H2627)
MFCD01605890
STK098817
ZINC000000861000
ZINC00861000
ZINC861000

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Available files

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