Vitas-M small molecule compound
methyl 2-[({4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}carbonothioyl)amino]benzoate
Catalog ID
STK644730
SMILES COC(=O)c1ccccc1NC(=S)N1CCN(CC1)CCn1c(C)ccc1C
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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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c1-16-8-9-17(2)25(16)15-12-23-10-13-24(14-11-23)21(28)22-19-7-5-4-6-18(19)20(26)27-3/h4-9H,10-15H2,1-3H3,(H,22,28)InChIKey
JECFSRZCNBPBIZ-UHFFFAOYSA-NSynonyms
951926-38-8951926388
CC1=CC=C(N1CCN2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC)C
InChI=1SC21H28N4O2Sc1168917(2)25(16)151223101324(141123)21(28)2219754618(19)20(26)273h49H1015H213H3(H2228)
methyl2(((4(2(25dimethyl1Hpyrrol1yl)ethyl)piperazin1yl)carbonothioyl)amino)benzoate
methyl2((4(2(25dimethylpyrrol1yl)ethyl)piperazine1carbothioyl)amino)benzoate
methyl2(4(2(25dimethyl1Hpyrrol1yl)ethyl)piperazine1carbothioamido)benzoate
MFCD09856028
ZINC000013724532
ZINC13724532
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