Vitas-M small molecule compound
(6Z)-3-(benzylsulfanyl)-5-imino-6-(4-nitrobenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Catalog ID
STK828354
SMILES N=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/C(=O)N=c2n1c(SCc1ccccc1)ns2
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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 C19H13N5O3S2 MW 423.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N5O3S2/c20-16-15(10-12-6-8-14(9-7-12)24(26)27)17(25)21-18-23(16)19(22-29-18)28-11-13-4-2-1-3-5-13/h1-10,20H,11H2/b15-10-,20-16-InChIKey
DBEFVAHEUXSDMD-UPPICYPPSA-NSynonyms
577988-82-0(6Z)3(benzylsulfanyl)5imino6(4nitrobenzylidene)56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
(Z)3(benzylthio)5imino6(4nitrobenzylidene)5H(124)thiadiazolo(45a)pyrimidin7(6H)one
577988820
MFCD03714885
N=C1C(=Cc2ccc(cc2)(N+)(=O)(O))C(=O)N=c2n1c(SCc1ccccc1)ns2
ZINC000009353063
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