Vitas-M small molecule compound
ethyl 4-{(2E)-3-[4-(methylsulfanyl)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoyl}piperazine-1-carboxylate
Catalog ID
STK835437
SMILES CCOC(=O)N1CCN(CC1)C(=O)/C(=C\c1ccc(cc1)SC)/NC(=O)c1ccccc1
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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 C24H27N3O4S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O4S/c1-3-31-24(30)27-15-13-26(14-16-27)23(29)21(17-18-9-11-20(32-2)12-10-18)25-22(28)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,25,28)/b21-17+InChIKey
PKMBJZLRSAVNHS-HEHNFIMWSA-NSynonyms
(E)ethyl4(2benzamido3(4(methylthio)phenyl)acryloyl)piperazine1carboxylate
4((E)2BENZOYLAMINO3(4METHYLSULFANYLPHENYL)ACRYLOYL)PIPERAZINE1CARBOXYLICACIDETHYLESTER
CCOC(=O)N1CCN(CC1)C(=O)C(=Cc1ccc(cc1)SC)NC(=O)c1ccccc1
CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)SC)NC(=O)C3=CC=CC=C3
ethyl4((2E)3(4(methylsulfanyl)phenyl)2((phenylcarbonyl)amino)prop2enoyl)piperazine1carboxylate
ETHYL4((E)2BENZAMIDO3(4METHYLSULFANYLPHENYL)PROP2ENOYL)PIPERAZINE1CARBOXYLATE
InChI=1SC24H27N3O4Sc133124(30)27151326(141627)23(29)21(171891120(322)121018)2522(28)197546819h41217H31316H212H3(H2528)b2117+
MFCD02211518
ZINC000012437082
ZINC12437082
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