Vitas-M small molecule compound
2-phenylethyl 4-({[2-(2-ethoxy-2-oxoethyl)-3-oxopiperazin-1-yl]carbonothioyl}amino)-4-oxobutanoate
Catalog ID
STL064985
SMILES CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCc1ccccc1
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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 C21H27N3O6S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6S/c1-2-29-19(27)14-16-20(28)22-11-12-24(16)21(31)23-17(25)8-9-18(26)30-13-10-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,22,28)(H,23,25,31)InChIKey
RLOHUTKKQLQPKD-UHFFFAOYSA-NSynonyms
2phenylethyl4(((2(2ethoxy2oxoethyl)3oxopiperazin1yl)carbonothioyl)amino)4oxobutanoate
2phenylethyl4((2(2ethoxy2oxoethyl)3oxopiperazine1carbothioyl)amino)4oxobutanoate
CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2
InChI=1SC21H27N3O6Sc122919(27)141620(28)22111224(16)21(31)2317(25)8918(26)301310156435715h3716H2814H21H3(H2228)(H232531)
MFCD05880237
PHENETHYL4((2(2ETHOXY2OXOETHYL)3OXOPIPERAZINE1CARBOTHIOYL)AMINO)4OXOBUTANOATE
ZINC000012137538
ZINC000012137539
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