Vitas-M small molecule compound

amino({[9-benzyl-3-(methoxycarbonyl)-9H-imidazo[1,2-a]benzimidazol-2-yl]methyl}sulfanyl)methaniminium

Catalog ID
STK870246
SMILES COC(=O)c1c(CSC(=[NH2+])N)nc2n1c1ccccc1n2Cc1ccccc1

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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 C20H20N5O2S MW 394.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O2S/c1-27-18(26)17-14(12-28-19(21)22)23-20-24(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)25(17)20/h2-10H,11-12H2,1H3,(H3,21,22)/p+1
InChIKey
LVIKCGMFBRAPCS-UHFFFAOYSA-O
Synonyms

(AMINO((4BENZYL1METHOXYCARBONYLIMIDAZO(12A)BENZIMIDAZOL2YL)METHYLSULFANYL)METHYLIDENE)AZANIUM
amino(((9benzyl3(methoxycarbonyl)9Himidazo(12a)benzimidazol2yl)methyl)sulfanyl)methaniminium
COC(=O)C1=C(N=C2N1C3=CC=CC=C3N2CC4=CC=CC=C4)CSC(=(NH2+))N
COC(=O)c1c(CSC(=(NH2+))N)nc2n1c1ccccc1n2Cc1ccccc1
InChI=1SC20H19N5O2Sc12718(26)1714(122819(21)22)232024(11137324813)159561016(15)25(17)20h210H1112H21H3(H32122)p+1
METHYL2(AMIDINOTHIOMETHYL)9BENZYL9HYDROIMIDAZO(12A)BENZIMIDAZOLE3CARBOXYLATE
ZINC000002469663
ZINC02469663

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Available files

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