Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide
Catalog ID
STK164912
SMILES COc1ccc(cc1NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C20H22ClN3O3S MW 419.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O3S/c1-25-17-5-3-15(21)11-16(17)22-20(28)24-8-6-23(7-9-24)12-14-2-4-18-19(10-14)27-13-26-18/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,28)InChIKey
IFIDLEJUJLVASJ-UHFFFAOYSA-NSynonyms
690247-70-2(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((5CHLORO2METHOXYPHENYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(5CHLORO2METHOXYPHENYL)PIPERAZINE1CARBOTHIOAMIDE
4(BENZO(D)(13)DIOXOL5YLMETHYL)N(5CHLORO2METHOXYPHENYL)PIPERAZINE1CARBOTHIOAMIDE
690247702
COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC20H22ClN3O3Sc125175315(21)1116(17)2220(28)248623(7924)1214241819(1014)27132618h251011H691213H21H3(H2228)
MFCD04445602
ZINC000019859238
ZINC19859238
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