Vitas-M small molecule compound
ethyl 2-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK448270
SMILES CCOC(=O)c1c(NC(=S)N2CCC(CC2)C(c2ccccc2)(c2ccccc2)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 C31H36N2O3S2 MW 548.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O3S2/c1-2-36-29(34)27-25-16-10-5-11-17-26(25)38-28(27)32-30(37)33-20-18-24(19-21-33)31(35,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,24,35H,2,5,10-11,16-21H2,1H3,(H,32,37)InChIKey
AAKFEMUYPHVHMF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
ethyl2(((4(hydroxy(diphenyl)methyl)piperidin1yl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((4(hydroxy(diphenyl)methyl)piperidine1carbothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC31H36N2O3S2c123629(34)272516105111726(25)3828(27)3230(37)33201824(192133)31(3522126371322)23148491523h346912152435H2510111621H21H3(H3237)
MFCD04140602
ZINC000097948011
ZINC97948011
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