Vitas-M small molecule compound
N-{4-[chloro(difluoro)methoxy]phenyl}-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK780509
SMILES O=C(Nc1ccc(cc1)OC(Cl)(F)F)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 C17H16ClF2N7O4S MW 487.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClF2N7O4S/c1-10-21-7-15(27(29)30)26(10)8-13-23-24-16(25(13)2)32-9-14(28)22-11-3-5-12(6-4-11)31-17(18,19)20/h3-7H,8-9H2,1-2H3,(H,22,28)InChIKey
XQKSPOHKDKSGDS-UHFFFAOYSA-NSynonyms
CC1=NC=C(N1CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)(N+)(=O)(O)
InChI=1SC17H16ClF2N7O4Sc11021715(27(29)30)26(10)813232416(25(13)2)32914(28)22113512(6411)3117(1819)20h37H89H212H3(H2228)
MFCD05860504
N(4(chloro(difluoro)methoxy)phenyl)2((4methyl5((2methyl5nitro1Himidazol1yl)methyl)4H124triazol3yl)sulfanyl)acetamide
N(4(CHLORO(DIFLUORO)METHOXY)PHENYL)2((4METHYL5((2METHYL5NITROIMIDAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(Nc1ccc(cc1)OC(Cl)(F)F)CSc1nnc(n1C)Cn1c(C)ncc1(N+)(=O)(O)
ZINC000012427682
ZINC12427682
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