Vitas-M small molecule compound
5-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK962544
SMILES COc1ccc(cc1OS(=O)(=O)c1ccc(cc1)C)/C=N/NC(=S)N
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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 C16H17N3O4S2 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S2/c1-11-3-6-13(7-4-11)25(20,21)23-15-9-12(5-8-14(15)22-2)10-18-19-16(17)24/h3-10H,1-2H3,(H3,17,19,24)/b18-10+InChIKey
LPXGGROUDYSVEF-VCHYOVAHSA-NSynonyms
494756-99-9(5((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)4METHYLBENZENESULFONATE
494756999
5((E)(2carbamothioylhydrazinylidene)methyl)2methoxyphenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=NNC(=S)N)OC
COc1ccc(cc1OS(=O)(=O)c1ccc(cc1)C)C=NNC(=S)N
InChI=1SC16H17N3O4S2c1113613(7411)25(2021)2315912(5814(15)222)10181916(17)24h310H12H3(H3171924)b1810+
MFCD02608360
ZINC000002077206
ZINC33347811
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