Vitas-M small molecule compound
methyl 2-[(2-{[(2,4-dichlorophenyl)carbonyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK690908
SMILES COC(=O)c1c(sc2c1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1Cl)Cl
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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 C21H18Cl2F6N2O3S MW 563.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2F6N2O3S/c1-34-18(33)15-12-5-3-2-4-6-14(12)35-17(15)31-19(20(24,25)26,21(27,28)29)30-16(32)11-8-7-10(22)9-13(11)23/h7-9,31H,2-6H2,1H3,(H,30,32)InChIKey
TYSNGCOLQGPPEI-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC21H18Cl2F6N2O3Sc13418(33)15125324614(12)3517(15)3119(20(2425)2621(2728)29)3016(32)118710(22)913(11)23h7931H26H21H3(H3032)
methyl2((2(((24dichlorophenyl)carbonyl)amino)111333hexafluoropropan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2((24dichlorobenzoyl)amino)111333hexafluoropropan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2(24dichlorobenzamido)111333hexafluoropropan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03293013
ZINC000002589253
ZINC2589253
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