Vitas-M small molecule compound

3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole

Catalog ID
STK790106
SMILES [O-][N+](=O)c1cccc(c1)CSc1nnc2n1c1ccccc1[nH]2

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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 C15H11N5O2S MW 325.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N5O2S/c21-20(22)11-5-3-4-10(8-11)9-23-15-18-17-14-16-12-6-1-2-7-13(12)19(14)15/h1-8H,9H2,(H,16,17)
InChIKey
DCVHOIUFKCYIPB-UHFFFAOYSA-N
Synonyms
877966-80-8
(O)(N+)(=O)c1cccc(c1)CSc1nnc2n1c1ccccc1(nH)2
1((3NITROPHENYL)METHYLSULFANYL)3H(124)TRIAZOLO(43A)BENZIMIDAZOLE
3((3nitrobenzyl)sulfanyl)9H(124)triazolo(43a)benzimidazole
3((3nitrobenzyl)thio)9Hbenzo(45)imidazo(21c)(124)triazole
877966808
C1=CC=C2C(=C1)N=C3N2C(=NN3)SCC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC15H11N5O2Sc2120(22)1153410(811)923151817141612612713(12)19(14)15h18H9H2(H1617)
MFCD07846002
ZINC000017946130
ZINC17946130

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Available files

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