Vitas-M small molecule compound
5-[({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-tetrazole
Catalog ID
STK667395
SMILES Cc1ncc(n1Cc1nnc(n1c1ccccc1)SCc1[nH]nnn1)[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 C15H14N10O2S MW 398.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N10O2S/c1-10-16-7-14(25(26)27)23(10)8-13-19-20-15(28-9-12-17-21-22-18-12)24(13)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,17,18,21,22)InChIKey
BPYRYPYNGJWSIT-UHFFFAOYSA-NSynonyms
5(((5((2methyl5nitro1Himidazol1yl)methyl)4phenyl4H124triazol3yl)sulfanyl)methyl)1Htetrazole
5((5((2METHYL5NITROIMIDAZOL1YL)METHYL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)2HTETRAZOLE
CC1=NC=C(N1CC2=NN=C(N2C3=CC=CC=C3)SCC4=NNN=N4)(N+)(=O)(O)
Cc1ncc(n1Cc1nnc(n1c1ccccc1)SCc1(nH)nnn1)(N+)(=O)(O)
InChI=1SC15H14N10O2Sc11016714(25(26)27)23(10)813192015(289121721221812)24(13)115324611h27H89H21H3(H17182122)
MFCD06617035
ZINC000012427692
ZINC12427692
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