Vitas-M small molecule compound
methyl (2E)-3-(3-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-1H-1,2,4-triazol-5-yl)prop-2-enoate
Catalog ID
STL287969
SMILES COC(=O)/C=C/c1[nH]nc(n1)NC(=O)CSc1nc2c(o1)cccc2
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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 C15H13N5O4S MW 359.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N5O4S/c1-23-13(22)7-6-11-17-14(20-19-11)18-12(21)8-25-15-16-9-4-2-3-5-10(9)24-15/h2-7H,8H2,1H3,(H2,17,18,19,20,21)/b7-6+InChIKey
CIEFWOLKEFZRQT-VOTSOKGWSA-NSynonyms
COC(=O)C=Cc1(nH)nc(n1)NC(=O)CSc1nc2c(o1)cccc2
COC(=O)C=CC1=NC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3O2
InChI=1SC15H13N5O4Sc12313(22)76111714(201911)1812(21)82515169423510(9)2415h27H8H21H3(H21718192021)b76+
methyl(2E)3(3(((13benzoxazol2ylsulfanyl)acetyl)amino)1H124triazol5yl)prop2enoate
methyl(E)3(3((2(13benzoxazol2ylsulfanyl)acetyl)amino)1H124triazol5yl)prop2enoate
MFCD24847498
ZINC000095482012
ZINC95482012
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