Vitas-M small molecule compound
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(4-methylphenyl)hydrazinecarbothioamide
Catalog ID
STK078134
SMILES S=C(Nc1ccc(cc1)C)N/N=C/c1ccc2c(c1)OCO2
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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 C16H15N3O2S MW 313.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O2S/c1-11-2-5-13(6-3-11)18-16(22)19-17-9-12-4-7-14-15(8-12)21-10-20-14/h2-9H,10H2,1H3,(H2,18,19,22)/b17-9+InChIKey
ZMRFYGWNINETGN-RQZCQDPDSA-NSynonyms
(2E)2(13BENZODIOXOL5YLMETHYLIDENE)N(4METHYLPHENYL)HYDRAZINECARBOTHIOAMIDE
1((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)3(4METHYLPHENYL)THIOUREA
13BENZODIOXOLE5CARBALDEHYDEN(4METHYLPHENYL)THIOSEMICARBAZONE
CC1=CC=C(C=C1)NC(=S)NN=CC2=CC3=C(C=C2)OCO3
InChI=1SC16H15N3O2Sc1112513(6311)1816(22)1917912471415(812)21102014h29H10H21H3(H2181922)b179+
MFCD01439081
S=C(Nc1ccc(cc1)C)NN=Cc1ccc2c(c1)OCO2
STK078134
ZINC000000358002
ZINC33307906
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