Vitas-M small molecule compound
3-[3-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]propanoic acid
Catalog ID
STL229510
SMILES O=C(Nc1cccc(c1C)Cl)CSc1nnc(c(n1)O)CCC(=O)O
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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 C15H15ClN4O4S MW 382.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClN4O4S/c1-8-9(16)3-2-4-10(8)17-12(21)7-25-15-18-14(24)11(19-20-15)5-6-13(22)23/h2-4H,5-7H2,1H3,(H,17,21)(H,22,23)(H,18,20,24)InChIKey
BOWVGFXMYAOOFB-UHFFFAOYSA-NSynonyms
881434-51-13(3((2((3chloro2methylphenyl)amino)2oxoethyl)sulfanyl)5hydroxy124triazin6yl)propanoicacid
3(3((2((3CHLORO2METHYLPHENYL)AMINO)2OXOETHYL)THIO)5OXO45DIHYDRO124TRIAZIN6YL)PROPANOICACID
3(3((N(3CHLORO2METHYLPHENYL)CARBAMOYL)METHYLTHIO)5HYDROXY124TRIAZIN6YL)PROPANOICACID
3(3(2(3CHLORO2METHYLANILINO)2OXOETHYL)SULFANYL5OXO2H124TRIAZIN6YL)PROPANOICACID
881434511
CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O
InChI=1SC15H15ClN4O4Sc189(16)32410(8)1712(21)725151814(24)11(192015)5613(22)23h24H57H21H3(H1721)(H2223)(H182024)
MFCD07422638
ZINC000016806877
ZINC16806877
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