Vitas-M small molecule compound
{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}[4-(4-methoxyphenyl)piperazin-1-yl]methanethione
Catalog ID
STK795726
SMILES COc1cc(ccc1OCc1ccc(cc1)C)C(=S)N1CCN(CC1)c1ccc(cc1)OC
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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 C27H30N2O3S MW 462.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O3S/c1-20-4-6-21(7-5-20)19-32-25-13-8-22(18-26(25)31-3)27(33)29-16-14-28(15-17-29)23-9-11-24(30-2)12-10-23/h4-13,18H,14-17,19H2,1-3H3InChIKey
KLFASITZRYIZOV-UHFFFAOYSA-NSynonyms
(3methoxy4((4methylbenzyl)oxy)phenyl)(4(4methoxyphenyl)piperazin1yl)methanethione
(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)(4(4METHOXYPHENYL)PIPERAZIN1YL)METHANETHIONE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=S)N3CCN(CC3)C4=CC=C(C=C4)OC)OC
InChI=1SC27H30N2O3Sc1204621(7520)19322513822(1826(25)313)27(33)29161428(151729)2391124(302)121023h41318H141719H213H3
MFCD05859873
ZINC000001078514
ZINC01078514
ZINC1078514
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