Vitas-M small molecule compound

4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide

Catalog ID
STK455743
SMILES COc1cc(CCNC(=S)N2CCN(CC2)Cc2ccc3c(c2)OCO3)ccc1OC

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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 C23H29N3O4S MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O4S/c1-27-19-5-3-17(13-21(19)28-2)7-8-24-23(31)26-11-9-25(10-12-26)15-18-4-6-20-22(14-18)30-16-29-20/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,24,31)
InChIKey
SILSMZCHSZMEFN-UHFFFAOYSA-N
Synonyms

(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((2(34DIMETHOXYPHENYL)ETHYL)AMINO)METHANE1THIONE
4(13benzodioxol5ylmethyl)N(2(34dimethoxyphenyl)ethyl)piperazine1carbothioamide
COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC
InChI=1SC23H29N3O4Sc127195317(1321(19)282)782423(31)2611925(101226)1518462022(1418)30162920h361314H7121516H212H3(H2431)
MFCD03161337
ZINC000016361135
ZINC16361135

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Available files

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