Vitas-M small molecule compound
1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thiourea
Catalog ID
STK133387
SMILES COc1ccc(cc1Cl)NC(=S)NCCCN1CCN(CC1)c1ccc(cc1)F
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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 C21H26ClFN4OS MW 436.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClFN4OS/c1-28-20-8-5-17(15-19(20)22)25-21(29)24-9-2-10-26-11-13-27(14-12-26)18-6-3-16(23)4-7-18/h3-8,15H,2,9-14H2,1H3,(H2,24,25,29)InChIKey
JBWWJPMGZIYNEA-UHFFFAOYSA-NSynonyms
1(3CHLORO4METHOXYPHENYL)3(3(4(4FLUOROPHENYL)PIPERAZIN1YL)PROPYL)THIOUREA
COC1=C(C=C(C=C1)NC(=S)NCCCN2CCN(CC2)C3=CC=C(C=C3)F)Cl
InChI=1SC21H26ClFN4OSc128208517(1519(20)22)2521(29)24921026111327(141226)186316(23)4718h3815H2914H21H3(H2242529)
MFCD04138731
ZINC000009850598
ZINC9850598
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