Vitas-M small molecule compound
N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-3,4-dimethoxybenzamide
Catalog ID
STK032798
SMILES COc1ccc(cc1OC)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)[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 C20H21ClN4O5S MW 464.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O5S/c1-29-17-6-3-13(11-18(17)30-2)19(26)22-20(31)24-9-7-23(8-10-24)16-5-4-14(25(27)28)12-15(16)21/h3-6,11-12H,7-10H2,1-2H3,(H,22,26,31)InChIKey
GRUXMCFUMHWFCR-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)OC
COc1ccc(cc1OC)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC20H21ClN4O5Sc129176313(1118(17)302)19(26)2220(31)249723(81024)165414(25(27)28)1215(16)21h361112H710H212H3(H222631)
MFCD03135412
N((4(2CHLORO4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)34DIMETHOXYBENZAMIDE
N(4(2CHLORO4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)34DIMETHOXYBENZAMIDE
STK032798
ZINC000009113828
ZINC09113828
ZINC9113828
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