Vitas-M small molecule compound
N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK346380
SMILES S=C(N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-])NC(=O)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 C19H17ClN4O5S MW 448.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O5S/c20-14-10-13(24(26)27)2-3-15(14)22-5-7-23(8-6-22)19(30)21-18(25)12-1-4-16-17(9-12)29-11-28-16/h1-4,9-10H,5-8,11H2,(H,21,25,30)InChIKey
DHDDHLKRILVASO-UHFFFAOYSA-NSynonyms
C1CN(CCN1C2=C(C=C(C=C2)(N+)(=O)(O))Cl)C(=S)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC19H17ClN4O5Sc20141013(24(26)27)2315(14)225723(8622)19(30)2118(25)12141617(912)29112816h14910H5811H2(H212530)
MFCD05992906
N((4(2chloro4nitrophenyl)piperazin1yl)carbonothioyl)13benzodioxole5carboxamide
N(4(2CHLORO4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)13BENZODIOXOLE5CARBOXAMIDE
S=C(N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O))NC(=O)c1ccc2c(c1)OCO2
ZINC000012858901
ZINC12858901
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