Vitas-M small molecule compound
N-[(2E)-6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,3-benzothiazol-2(3H)-ylidene]acetamide
Catalog ID
STK638313
SMILES CC(=O)/N=c/1\[nH]c2c(s1)cc(cc2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-14(27)23-22-24-17-4-3-16(11-20(17)31-22)21(28)26-8-6-25(7-9-26)12-15-2-5-18-19(10-15)30-13-29-18/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,24,27)InChIKey
GTGRUQGXFBTXBO-UHFFFAOYSA-NSynonyms
951943-64-9951943649
CC(=O)N=c1(nH)c2c(s1)cc(cc2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC22H22N4O4Sc114(27)232224174316(1120(17)3122)21(28)268625(7926)1215251819(1015)30132918h251011H691213H21H3(H232427)
MFCD18161657
N((2E)6((4(13benzodioxol5ylmethyl)piperazin1yl)carbonyl)13benzothiazol2(3H)ylidene)acetamide
N(6(4(13benzodioxol5ylmethyl)piperazine1carbonyl)13benzothiazol2yl)acetamide
ZINC000013722511
ZINC13722511
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