Vitas-M small molecule compound

methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate

Catalog ID
STK757619
SMILES COC(=O)c1nnn(c1CSc1nc2c(s1)cccc2)c1nonc1N

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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 C14H11N7O3S2 MW 389.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N7O3S2/c1-23-13(22)10-8(21(20-17-10)12-11(15)18-24-19-12)6-25-14-16-7-4-2-3-5-9(7)26-14/h2-5H,6H2,1H3,(H2,15,18)
InChIKey
ZKGKCBNHBDJDRP-UHFFFAOYSA-N
Synonyms
312276-52-1
1(4AMINO125OXADIAZOL3YL)5((13BENZOTHIAZOL2YLTHIO)METHYL)4TRIAZOLECARBOXYLICACIDMETHYLESTER
1(4AMINOFURAZAN3YL)5((13BENZOTHIAZOL2YLTHIO)METHYL)TRIAZOLE4CARBOXYLICACIDMETHYLESTER
312276521
COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=CC=CC=C4S3
InChI=1SC14H11N7O3S2c12313(22)108(21(201710)1211(15)18241912)6251416742359(7)2614h25H6H21H3(H21518)
METHYL1(4AMINO(125OXADIAZOL3YL))5(BENZOTHIAZOL2YLTHIOMETHYL)123TRIAZOLE4CARBOXYLATE
methyl1(4amino125oxadiazol3yl)5((13benzothiazol2ylsulfanyl)methyl)1H123triazole4carboxylate
METHYL1(4AMINO125OXADIAZOL3YL)5((13BENZOTHIAZOL2YLTHIO)METHYL)1H123TRIAZOLE4CARBOXYLATE
METHYL1(4AMINO125OXADIAZOL3YL)5(13BENZOTHIAZOL2YLSULFANYLMETHYL)TRIAZOLE4CARBOXYLATE
METHYL1(4AZANYL125OXADIAZOL3YL)5(13BENZOTHIAZOL2YLSULFANYLMETHYL)123TRIAZOLE4CARBOXYLATE
MFCD01306265
ZINC000002025374
ZINC02025374
ZINC2025374

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Available files

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