Vitas-M small molecule compound

2-{[1-(1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(piperidin-1-ylcarbonyl)phenyl]acetamide

Catalog ID
STK782203
SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)CSc1nnnn1c1ccc2c(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 C22H22N6O4S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4S/c29-20(23-16-6-4-15(5-7-16)21(30)27-10-2-1-3-11-27)13-33-22-24-25-26-28(22)17-8-9-18-19(12-17)32-14-31-18/h4-9,12H,1-3,10-11,13-14H2,(H,23,29)
InChIKey
KRCVBAVTENPZJM-UHFFFAOYSA-N
Synonyms

2((1(13benzodioxol5yl)1Htetrazol5yl)sulfanyl)N(4(piperidin1ylcarbonyl)phenyl)acetamide
2(1(13BENZODIOXOL5YL)TETRAZOL5YL)SULFANYLN(4(PIPERIDINE1CARBONYL)PHENYL)ACETAMIDE
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC5=C(C=C4)OCO5
InChI=1SC22H22N6O4Sc2920(23166415(5716)21(30)27102131127)13332224252628(22)17891819(1217)32143118h4912H1310111314H2(H2329)
MFCD06017010
ZINC000012429011
ZINC12429011

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Available files

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