Vitas-M small molecule compound
methyl 4-[({[4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK116750
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)COc1ccccc1
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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 C19H19N5O4S MW 413.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O4S/c1-27-18(26)13-7-9-14(10-8-13)21-17(25)12-29-19-23-22-16(24(19)20)11-28-15-5-3-2-4-6-15/h2-10H,11-12,20H2,1H3,(H,21,25)InChIKey
XTJXCRBTWPBRTO-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3
InChI=1SC19H19N5O4Sc12718(26)137914(10813)2117(25)122919232216(24(19)20)1128155324615h210H111220H21H3(H2125)
METHYL4((((4AMINO5(PHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4AMINO5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04091038
ZINC000000687591
ZINC00687591
ZINC687591
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