Vitas-M small molecule compound
N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-3,5-dimethoxybenzamide
Catalog ID
STK074895
SMILES COc1cc(OC)cc(c1)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/c1-29-15-9-13(10-16(12-15)30-2)19(26)22-20(31)24-7-5-23(6-8-24)18-4-3-14(25(27)28)11-17(18)21/h3-4,9-12H,5-8H2,1-2H3,(H,22,26,31)InChIKey
VYMXRVDUVLKBBS-UHFFFAOYSA-NSynonyms
COC1=CC(=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)OC
COc1cc(OC)cc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC20H21ClN4O5Sc12915913(1016(1215)302)19(26)2220(31)247523(6824)184314(25(27)28)1117(18)21h34912H58H212H3(H222631)
MFCD03136067
N((4(2CHLORO4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)35DIMETHOXYBENZAMIDE
N(4(2CHLORO4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)35DIMETHOXYBENZAMIDE
STK074895
ZINC000009635905
ZINC09635905
ZINC9635905
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