Vitas-M small molecule compound

methyl 2-({[4-(2-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK446464
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)c2ccccc2O)sc2c1CCCCC2

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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 C22H27N3O3S2 MW 445.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S2/c1-28-21(27)19-15-7-3-2-4-10-18(15)30-20(19)23-22(29)25-13-11-24(12-14-25)16-8-5-6-9-17(16)26/h5-6,8-9,26H,2-4,7,10-14H2,1H3,(H,23,29)
InChIKey
NHZILENGBMJFEV-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCN(CC3)C4=CC=CC=C4O
InChI=1SC22H27N3O3S2c12821(27)191573241018(15)3020(19)2322(29)25131124(121425)16856917(16)26h568926H2471014H21H3(H2329)
methyl2(((4(2hydroxyphenyl)piperazin1yl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((4(2hydroxyphenyl)piperazine1carbothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD04058806
ZINC000019643948
ZINC19643948

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Available files

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