Vitas-M small molecule compound
2-(1,3-benzothiazol-2-ylamino)-4'-methyl-2'-(piperidin-1-yl)-4,5'-bipyrimidin-6(1H)-one
Catalog ID
STK803437
SMILES O=c1[nH]c(Nc2nc3c(s2)cccc3)nc(c1)c1cnc(nc1C)N1CCCCC1
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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 C21H21N7OS MW 419.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7OS/c1-13-14(12-22-20(23-13)28-9-5-2-6-10-28)16-11-18(29)26-19(24-16)27-21-25-15-7-3-4-8-17(15)30-21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H2,24,25,26,27,29)InChIKey
LGUVOSAQEWZLPT-UHFFFAOYSA-NSynonyms
2(13benzothiazol2ylamino)4methyl2(piperidin1yl)45bipyrimidin6(1H)one
2(13benzothiazol2ylamino)6(4methyl2piperidin1ylpyrimidin5yl)1Hpyrimidin4one
CC1=NC(=NC=C1C2=CC(=O)N=C(N2)NC3=NC4=CC=CC=C4S3)N5CCCCC5
InChI=1SC21H21N7OSc11314(122220(2313)2895261028)161118(29)2619(2416)27212515734817(15)3021h34781112H256910H21H3(H22425262729)
MFCD13372624
O=c1(nH)c(Nc2nc3c(s2)cccc3)nc(c1)c1cnc(nc1C)N1CCCCC1
ZINC000039383660
ZINC39383660
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