Vitas-M small molecule compound
methyl 2-({[4-(4-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK446683
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)c2ccc(cc2)O)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)19-17-5-3-2-4-6-18(17)30-20(19)23-22(29)25-13-11-24(12-14-25)15-7-9-16(26)10-8-15/h7-10,26H,2-6,11-14H2,1H3,(H,23,29)InChIKey
YWDLEVHDKZEBAL-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)O
InChI=1SC22H27N3O3S2c12821(27)19175324618(17)3020(19)2322(29)25131124(121425)157916(26)10815h71026H261114H21H3(H2329)
methyl2(((4(4hydroxyphenyl)piperazin1yl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((4(4hydroxyphenyl)piperazine1carbothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD04059483
ZINC000019643952
ZINC19643952
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