Vitas-M small molecule compound

4-(1,3-benzodioxol-5-ylmethyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide

Catalog ID
STK091099
SMILES S=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)Nc1ccc(cc1)[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 C19H20N4O4S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O4S/c24-23(25)16-4-2-15(3-5-16)20-19(28)22-9-7-21(8-10-22)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,20,28)
InChIKey
ORWYAHKQGSPFHL-UHFFFAOYSA-N
Synonyms
364738-56-7
364738567
4(13BENZODIOXOL5YLMETHYL)N(4NITROPHENYL)1PIPERAZINECARBOTHIOAMIDE
4(13BENZODIOXOL5YLMETHYL)N(4NITROPHENYL)PIPERAZINE1CARBOTHIOAMIDE
4(BENZO(D)(13)DIOXOL5YLMETHYL)N(4NITROPHENYL)PIPERAZINE1CARBOTHIOAMIDE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC19H20N4O4Sc2423(25)164215(3516)2019(28)229721(81022)1214161718(1114)27132617h1611H7101213H2(H2028)
MFCD02639775
S=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)Nc1ccc(cc1)(N+)(=O)(O)
STK091099
ZINC000019800171
ZINC19800171

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Available files

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