Vitas-M small molecule compound

propan-2-yl 2-{[(2-fluorophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK334284
SMILES CC(OC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2)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 C20H22FNO3S MW 375.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FNO3S/c1-12(2)25-20(24)17-14-9-4-3-5-11-16(14)26-19(17)22-18(23)13-8-6-7-10-15(13)21/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,22,23)
InChIKey
JHCMZPDEOLXDNT-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CC=C3F
InChI=1SC20H22FNO3Sc112(2)2520(24)171494351116(14)2619(17)2218(23)138671015(13)21h681012H35911H212H3(H2223)
MFCD01356330
propan2yl2(((2fluorophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2((2fluorobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000001218335
ZINC01218335
ZINC1218335

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Available files

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