Vitas-M small molecule compound

(4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid

Catalog ID
STK586109
SMILES NC(=S)N/N=C/1\CC(C)(C)Cc2c1c(C)c(o2)C(=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 C13H17N3O3S MW 295.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O3S/c1-6-9-7(15-16-12(14)20)4-13(2,3)5-8(9)19-10(6)11(17)18/h4-5H2,1-3H3,(H,17,18)(H3,14,16,20)/b15-7+
InChIKey
JMGLKDMQHBFGCH-VIZOYTHASA-N
Synonyms
881447-76-3
(4E)4(2carbamothioylhydrazinylidene)366trimethyl4567tetrahydro1benzofuran2carboxylicacid
(4E)4(CARBAMOTHIOYLHYDRAZINYLIDENE)366TRIMETHYL57DIHYDRO1BENZOFURAN2CARBOXYLICACID
(E)4(2carbamothioylhydrazono)366trimethyl4567tetrahydrobenzofuran2carboxylicacid
4(((AMINOTHIOXOMETHYL)AMINO)AZAMETHYLENE)366TRIMETHYL567TRIHYDROBENZO(12B)FURAN2CARBOXYLICACID
881447763
CC1=C(OC2=C1C(=NNC(=S)N)CC(C2)(C)C)C(=O)O
InChI=1SC13H17N3O3Sc1697(151612(14)20)413(23)58(9)1910(6)11(17)18h45H213H3(H1718)(H3141620)b157+
MFCD06780655
NC(=S)NN=C1CC(C)(C)Cc2c1c(C)c(o2)C(=O)O
ZINC000013557137
ZINC100837589

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Available files

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