Vitas-M small molecule compound
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,5-dimethoxyphenyl)thiourea
Catalog ID
STK542811
SMILES COc1ccc(c(c1)NC(=S)NN1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c1-26-16-4-6-18(27-2)17(12-16)22-21(30)23-25-9-7-24(8-10-25)13-15-3-5-19-20(11-15)29-14-28-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H2,22,23,30)InChIKey
HXBOPUOFANYZHR-UHFFFAOYSA-NSynonyms
500195-42-61(4(13benzodioxol5ylmethyl)piperazin1yl)3(25dimethoxyphenyl)thiourea
1(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)3(25dimethoxyphenyl)thiourea
500195426
COC1=CC(=C(C=C1)OC)NC(=S)NN2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC21H26N4O4Sc126164618(272)17(1216)2221(30)23259724(81025)1315351920(1115)29142819h361112H7101314H212H3(H2222330)
MFCD03304891
ZINC000036006960
ZINC36006960
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