Vitas-M small molecule compound

methyl {1-[(2-methylprop-2-en-1-yl)carbamothioyl]-3-oxopiperazin-2-yl}acetate

Catalog ID
STL357386
SMILES COC(=O)CC1C(=O)NCCN1C(=S)NCC(=C)C

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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 C12H19N3O3S MW 285.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H19N3O3S/c1-8(2)7-14-12(19)15-5-4-13-11(17)9(15)6-10(16)18-3/h9H,1,4-7H2,2-3H3,(H,13,17)(H,14,19)
InChIKey
ABZFWUBDMKJUQI-UHFFFAOYSA-N
Synonyms
1008386-73-9
(1(2METHYLALLYLTHIOCARBAMOYL)3OXOPIPERAZIN2YL)ACETICACIDMETHYLESTER
1008386739
CC(=C)CNC(=S)N1CCNC(=O)C1CC(=O)OC
InChI=1SC12H19N3O3Sc18(2)71412(19)15541311(17)9(15)610(16)183h9H147H223H3(H1317)(H1419)
methyl(1((2methylprop2en1yl)carbamothioyl)3oxopiperazin2yl)acetate
METHYL2(1(((2METHYLPROP2ENYL)AMINO)THIOXOMETHYL)3OXOPIPERAZIN2YL)ACETATE
methyl2(1((2methylallyl)carbamothioyl)3oxopiperazin2yl)acetate
METHYL2(1(2METHYLPROP2ENYLCARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
MFCD00619290
ZINC000008684704
ZINC000008684705

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.