Vitas-M small molecule compound
2-[(E)-(2-carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK899403
SMILES COc1cccc(c1OS(=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/c1-11-6-8-13(9-7-11)25(20,21)23-15-12(10-18-19-16(17)24)4-3-5-14(15)22-2/h3-10H,1-2H3,(H3,17,19,24)/b18-10+InChIKey
IRKGSDOAUIZSMK-VCHYOVAHSA-NSynonyms
402783-76-0(2((E)(carbamothioylhydrazinylidene)methyl)6methoxyphenyl)4methylbenzenesulfonate
2((E)(2carbamothioylhydrazinylidene)methyl)6methoxyphenyl4methylbenzenesulfonate
402783760
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=NNC(=S)N
COc1cccc(c1OS(=O)(=O)c1ccc(cc1)C)C=NNC(=S)N
InChI=1SC16H17N3O4S2c1116813(9711)25(2021)231512(10181916(17)24)43514(15)222h310H12H3(H3171924)b1810+
MFCD02605145
ZINC000002078271
ZINC33347896
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