Vitas-M small molecule compound
methyl 4-{[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK743827
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)Cn1c(C)ncc1[N+](=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 C18H19N7O5S MW 445.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O5S/c1-11-19-8-16(25(28)29)24(11)9-14-21-22-18(23(14)2)31-10-15(26)20-13-6-4-12(5-7-13)17(27)30-3/h4-8H,9-10H2,1-3H3,(H,20,26)InChIKey
YJHSDQUOAQQWNY-UHFFFAOYSA-NSynonyms
CC1=NC=C(N1CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)(N+)(=O)(O)
COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)Cn1c(C)ncc1(N+)(=O)(O)
InChI=1SC18H19N7O5Sc11119816(25(28)29)24(11)914212218(23(14)2)311015(26)20136412(5713)17(27)303h48H910H213H3(H2026)
methyl4((((4methyl5((2methyl5nitro1Himidazol1yl)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4METHYL5((2METHYL5NITROIMIDAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2(4METHYL5((2METHYL5NITROIMIDAZOLYL)METHYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD06016923
ZINC000012427681
ZINC12427681
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