Vitas-M small molecule compound
3-[3-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]propanoic acid
Catalog ID
STL229499
SMILES O=C(Nc1ccc(cc1)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 C14H13ClN4O4S MW 368.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13ClN4O4S/c15-8-1-3-9(4-2-8)16-11(20)7-24-14-17-13(23)10(18-19-14)5-6-12(21)22/h1-4H,5-7H2,(H,16,20)(H,21,22)(H,17,19,23)InChIKey
RXQYNYFBDJPZGP-UHFFFAOYSA-NSynonyms
881433-49-43(3((2((4chlorophenyl)amino)2oxoethyl)sulfanyl)5hydroxy124triazin6yl)propanoicacid
3(3((2((4CHLOROPHENYL)AMINO)2OXOETHYL)THIO)5OXO45DIHYDRO124TRIAZIN6YL)PROPANOICACID
3(3((N(4CHLOROPHENYL)CARBAMOYL)METHYLTHIO)5HYDROXY124TRIAZIN6YL)PROPANOICACID
3(3(2(4CHLOROANILINO)2OXOETHYL)SULFANYL5OXO2H124TRIAZIN6YL)PROPANOICACID
881433494
C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O)Cl
InChI=1SC14H13ClN4O4Sc158139(428)1611(20)724141713(23)10(181914)5612(21)22h14H57H2(H1620)(H2122)(H171923)
MFCD07422600
ZINC000016806867
ZINC16806867
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