Vitas-M small molecule compound
methyl (1-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL064100
SMILES COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1sc2c(c1Cl)cccc2
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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 C17H16ClN3O4S2 MW 425.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3O4S2/c1-25-12(22)8-10-15(23)19-6-7-21(10)17(26)20-16(24)14-13(18)9-4-2-3-5-11(9)27-14/h2-5,10H,6-8H2,1H3,(H,19,23)(H,20,24,26)InChIKey
ADOLTVMTEATKJU-UHFFFAOYSA-NSynonyms
COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl
InChI=1SC17H16ClN3O4S2c12512(22)81015(23)196721(10)17(26)2016(24)1413(18)9423511(9)2714h2510H68H21H3(H1923)(H202426)
METHYL((2R)1(((3CHLORO1BENZOTHIOPHEN2YL)CARBONYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
METHYL((2S)1(((3CHLORO1BENZOTHIOPHEN2YL)CARBONYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
METHYL(1((((3CHLORO1BENZOTHIEN2YL)CARBONYL)AMINO)CARBONOTHIOYL)3OXO2PIPERAZINYL)ACETATE
methyl(1(((3chloro1benzothiophen2yl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
METHYL2(1((3CHLORO1BENZOTHIOPHENE2CARBONYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
MFCD05084819
ZINC000002884423
ZINC000002884424
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