Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(2-methyl-3-nitrophenyl)carbonyl]hydrazinecarbothioamide
Catalog ID
STK461237
SMILES S=C(Nc1ccc2c(c1)OCO2)NNC(=O)c1cccc(c1C)[N+](=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 C16H14N4O5S MW 374.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O5S/c1-9-11(3-2-4-12(9)20(22)23)15(21)18-19-16(26)17-10-5-6-13-14(7-10)25-8-24-13/h2-7H,8H2,1H3,(H,18,21)(H2,17,19,26)InChIKey
RAWQRYVPUFFUFH-UHFFFAOYSA-NSynonyms
1(13benzodioxol5yl)3((2methyl3nitrobenzoyl)amino)thiourea
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3
InChI=1SC16H14N4O5Sc1911(32412(9)20(22)23)15(21)181916(26)1710561314(710)2582413h27H8H21H3(H1821)(H2171926)
MFCD04262974
N(((2HBENZO(D)13DIOXOLAN5YLAMINO)THIOXOMETHYL)AMINO)(2METHYL3NITROPHENYL)CARBOXAMIDE
N(13benzodioxol5yl)2((2methyl3nitrophenyl)carbonyl)hydrazinecarbothioamide
S=C(Nc1ccc2c(c1)OCO2)NNC(=O)c1cccc(c1C)(N+)(=O)(O)
ZINC000006572050
ZINC06572050
ZINC6572050
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