Vitas-M small molecule compound
ethyl 2-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK457007
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2ncccn2)sc2c1CCCCCC2
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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 C22H29N5O2S2 MW 459.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O2S2/c1-2-29-20(28)18-16-8-5-3-4-6-9-17(16)31-19(18)25-22(30)27-14-12-26(13-15-27)21-23-10-7-11-24-21/h7,10-11H,2-6,8-9,12-15H2,1H3,(H,25,30)InChIKey
GFWSNFVDFWAQQU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCN(CC3)C4=NC=CC=N4
ethyl2(((4(pyrimidin2yl)piperazin1yl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4pyrimidin2ylpiperazine1carbothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC22H29N5O2S2c122920(28)181685346917(16)3119(18)2522(30)27141226(131527)2123107112421h71011H26891215H21H3(H2530)
MFCD05108647
ZINC000016346654
ZINC16346654
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