Vitas-M small molecule compound
methyl 2-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK446345
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)c2cccc(c2)O)sc2c1CCC2
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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 C20H23N3O3S2 MW 417.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S2/c1-26-19(25)17-15-6-3-7-16(15)28-18(17)21-20(27)23-10-8-22(9-11-23)13-4-2-5-14(24)12-13/h2,4-5,12,24H,3,6-11H2,1H3,(H,21,27)InChIKey
LEMLSHOFPUSXPZ-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)O
InChI=1SC20H23N3O3S2c12619(25)171563716(15)2818(17)2120(27)2310822(91123)1342514(24)1213h2451224H3611H21H3(H2127)
methyl2(((4(3hydroxyphenyl)piperazin1yl)carbonothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(((4(3HYDROXYPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2((4(3hydroxyphenyl)piperazine1carbothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD04058749
ZINC000006397443
ZINC06397443
ZINC6397443
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