Vitas-M small molecule compound
3-[1-(4-chlorophenyl)-3-methyl-5-thioxo-1,2,4-triazolidin-3-yl]propanoic acid
Catalog ID
STL482369
SMILES OC(=O)CCC1(C)NN(C(=S)N1)c1ccc(cc1)Cl
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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 C12H14ClN3O2S MW 299.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14ClN3O2S/c1-12(7-6-10(17)18)14-11(19)16(15-12)9-4-2-8(13)3-5-9/h2-5,15H,6-7H2,1H3,(H,14,19)(H,17,18)InChIKey
OFWIWHYDGCSHBK-UHFFFAOYSA-NSynonyms
3(1(4chlorophenyl)3methyl5sulfanylidene124triazolidin3yl)propanoicacid
3(1(4chlorophenyl)3methyl5thioxo124triazolidin3yl)propanoicacid
CC1(NC(=S)N(N1)C2=CC=C(C=C2)Cl)CCC(=O)O
InChI=1SC12H14ClN3O2Sc112(7610(17)18)1411(19)16(1512)9428(13)359h2515H67H21H3(H1419)(H1718)
MFCD30713294
ZINC000334160899
ZINC000334160900
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