Vitas-M small molecule compound
4-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl 4-methylbenzoate
Catalog ID
STK961900
SMILES COc1cc(/C=N/NC(=S)N)ccc1OC(=O)c1ccc(cc1)C
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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 C17H17N3O3S MW 343.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O3S/c1-11-3-6-13(7-4-11)16(21)23-14-8-5-12(9-15(14)22-2)10-19-20-17(18)24/h3-10H,1-2H3,(H3,18,20,24)/b19-10+InChIKey
KLXPZXMGFWZKIO-VXLYETTFSA-NSynonyms
494757-35-6(4((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)4METHYLBENZOATE
4((E)(2carbamothioylhydrazinylidene)methyl)2methoxyphenyl4methylbenzoate
4(2(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)2METHOXYPHENYL4METHYLBENZOATE
494757356
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)N)OC
COc1cc(C=NNC(=S)N)ccc1OC(=O)c1ccc(cc1)C
InChI=1SC17H17N3O3Sc1113613(7411)16(21)23148512(915(14)222)10192017(18)24h310H12H3(H3182024)b1910+
MFCD02604506
ZINC000013470922
ZINC33317372
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