Vitas-M small molecule compound
2-{[(2-bromobenzyl)sulfanyl]acetyl}-N-(2-methoxy-4-nitrophenyl)hydrazinecarbothioamide
Catalog ID
STK455465
SMILES COc1cc(ccc1NC(=S)NNC(=O)CSCc1ccccc1Br)[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 C17H17BrN4O4S2 MW 485.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN4O4S2/c1-26-15-8-12(22(24)25)6-7-14(15)19-17(27)21-20-16(23)10-28-9-11-4-2-3-5-13(11)18/h2-8H,9-10H2,1H3,(H,20,23)(H2,19,21,27)InChIKey
NWNJJJYYQFRNOC-UHFFFAOYSA-NSynonyms
1((2((2BROMOPHENYL)METHYLSULFANYL)ACETYL)AMINO)3(2METHOXY4NITROPHENYL)THIOUREA
2(((2bromobenzyl)sulfanyl)acetyl)N(2methoxy4nitrophenyl)hydrazinecarbothioamide
2((2BROMOPHENYL)METHYLTHIO)N((((2METHOXY4NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)ACETAMIDE
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)NNC(=O)CSCC2=CC=CC=C2Br
COc1cc(ccc1NC(=S)NNC(=O)CSCc1ccccc1Br)(N+)(=O)(O)
InChI=1SC17H17BrN4O4S2c12615812(22(24)25)6714(15)1917(27)212016(23)1028911423513(11)18h28H910H21H3(H2023)(H2192127)
MFCD04137049
ZINC000016345370
ZINC16345370
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