Vitas-M small molecule compound
4-{[4-(3-chlorophenyl)piperazin-4-ium-1-yl]carbonothioyl}-2-methoxyphenolate
Catalog ID
STK568539
SMILES COc1cc(ccc1[O-])C(=S)N1CC[NH+](CC1)c1cccc(c1)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 C18H19ClN2O2S MW 362.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O2S/c1-23-17-11-13(5-6-16(17)22)18(24)21-9-7-20(8-10-21)15-4-2-3-14(19)12-15/h2-6,11-12,22H,7-10H2,1H3InChIKey
JWWHLDSWTPNVCQ-UHFFFAOYSA-NSynonyms
573933-70-74((4(3chlorophenyl)piperazin4ium1yl)carbonothioyl)2methoxyphenolate
4(4(3CHLOROPHENYL)PIPERAZIN4IUM1CARBOTHIOYL)2METHOXYPHENOLATE
COC1=C(C=CC(=C1)C(=S)N2CC(NH+)(CC2)C3=CC(=CC=C3)Cl)(O)
COc1cc(ccc1(O))C(=S)N1CC(NH+)(CC1)c1cccc(c1)Cl
InChI=1SC18H19ClN2O2Sc123171113(5616(17)22)18(24)219720(81021)1542314(19)1215h26111222H710H21H3
MFCD04019854
ZINC000013121793
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