Vitas-M small molecule compound
N-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]carbonothioyl}-3,4,5-trimethoxybenzamide
Catalog ID
STK863930
SMILES COc1cc(cc(c1OC)OC)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])Cl
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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 C21H23ClN4O6S MW 494.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O6S/c1-30-17-10-13(11-18(31-2)19(17)32-3)20(27)23-21(33)25-8-6-24(7-9-25)15-5-4-14(22)12-16(15)26(28)29/h4-5,10-12H,6-9H2,1-3H3,(H,23,27,33)InChIKey
MQRGAPUMFXWFJZ-UHFFFAOYSA-NSynonyms
371214-09-4371214094
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
COc1cc(cc(c1OC)OC)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))Cl
InChI=1SC21H23ClN4O6Sc130171013(1118(312)19(17)323)20(27)2321(33)258624(7925)155414(22)1216(15)26(28)29h451012H69H213H3(H232733)
MFCD03010111
N((4(4chloro2nitrophenyl)piperazin1yl)carbonothioyl)345trimethoxybenzamide
N(4(4chloro2nitrophenyl)piperazine1carbonothioyl)345trimethoxybenzamide
N(4(4CHLORO2NITROPHENYL)PIPERAZINE1CARBOTHIOYL)345TRIMETHOXYBENZAMIDE
ZINC000009086399
ZINC09086399
ZINC9086399
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