Vitas-M small molecule compound

N-{4-[(4-methoxybenzyl)carbamoyl]-1,2,3-thiadiazol-5-yl}-4-(pyrimidin-2-yl)piperazine-1-carboxamide

Catalog ID
STL437280
SMILES COc1ccc(cc1)CNC(=O)c1nnsc1NC(=O)N1CCN(CC1)c1ncccn1

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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 C20H22N8O3S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N8O3S/c1-31-15-5-3-14(4-6-15)13-23-17(29)16-18(32-26-25-16)24-20(30)28-11-9-27(10-12-28)19-21-7-2-8-22-19/h2-8H,9-13H2,1H3,(H,23,29)(H,24,30)
InChIKey
PPUSPJRUEOKWQU-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)CNC(=O)C2=C(SN=N2)NC(=O)N3CCN(CC3)C4=NC=CC=N4
InChI=1SC20H22N8O3Sc131155314(4615)132317(29)1618(32262516)2420(30)2811927(101228)19217282219h28H913H21H3(H2329)(H2430)
MFCD09992028
N((4methoxyphenyl)methyl)5((4pyrimidin2ylpiperazine1carbonyl)amino)thiadiazole4carboxamide
N(4((4methoxybenzyl)carbamoyl)123thiadiazol5yl)4(pyrimidin2yl)piperazine1carboxamide
N(4METHOXYBENZYL)5(4(PYRIMIDIN2YL)PIPERAZINE1CARBOXAMIDO)123THIADIAZOLE4CARBOXAMIDE
ZINC000025184028
ZINC25184028

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Available files

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