Vitas-M small molecule compound
ethyl benzoate - 2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methylacetamide (1:1)
Catalog ID
STL079659
SMILES CNC(=O)CSc1nnc(n1C)Cc1csc(n1)N.CCOC(=O)c1ccccc1
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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 C19H24N6O3S2 MW 448.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H14N6OS2.C9H10O2/c1-12-8(17)5-19-10-15-14-7(16(10)2)3-6-4-18-9(11)13-6;1-2-11-9(10)8-6-4-3-5-7-8/h4H,3,5H2,1-2H3,(H2,11,13)(H,12,17);3-7H,2H2,1H3InChIKey
VYQFUWLRYBDUDV-UHFFFAOYSA-NSynonyms
2((5((2amino13thiazol4yl)methyl)4methyl124triazol3yl)sulfanyl)Nmethylacetamideethylbenzoate
2(5((2AMINO(13THIAZOL4YL))METHYL)4METHYL(124TRIAZOL3YLTHIO))NMETHYLACETAMIDEETHYLBENZOATE
CCOC(=O)C1=CC=CC=C1CNC(=O)CSC1=NN=C(N1C)CC2=CSC(=N2)N
CNC(=O)CSc1nnc(n1C)Cc1csc(n1)NCCOC(=O)c1ccccc1
ethylbenzoate2((5((2amino13thiazol4yl)methyl)4methyl4H124triazol3yl)sulfanyl)Nmethylacetamide(11)
InChI=1SC10H14N6OS2C9H10O2c1128(17)5191015147(16(10)2)364189(11)13612119(10)8643578h4H35H212H3(H21113)(H1217)37H2H21H3
MFCD18200594
ZINC000057505469
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