Vitas-M small molecule compound
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propan-1-one
Catalog ID
STK624257
SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CCSc1nc(Cl)nc2c1[nH]cn2
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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 C20H21ClN6O3S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN6O3S/c21-20-24-18-17(22-11-23-18)19(25-20)31-8-3-16(28)27-6-4-26(5-7-27)10-13-1-2-14-15(9-13)30-12-29-14/h1-2,9,11H,3-8,10,12H2,(H,22,23,24,25)InChIKey
HJUXYJOGSKHNGC-UHFFFAOYSA-NSynonyms
929836-29-31(4(13benzodioxol5ylmethyl)piperazin1yl)3((2chloro7Hpurin6yl)sulfanyl)propan1one
1(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)3((2chloro9Hpurin6yl)thio)propan1one
929836293
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCSC4=NC(=NC5=C4NC=N5)Cl
InChI=1SC20H21ClN6O3Sc2120241817(22112318)19(2520)318316(28)276426(5727)1013121415(913)30122914h12911H381012H2(H22232425)
MFCD09795817
O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CCSc1nc(Cl)nc2c1(nH)cn2
O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CCSc1nc(Cl)nc2c1nc(nH)2
ZINC000020650257
ZINC20650257
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