Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK497269
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nc2c(n1c1ccc(cc1)C)nc[nH]c2=O
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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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c1-12-2-5-14(6-3-12)26-19-18(20(28)23-10-22-19)25-21(26)31-9-17(27)24-13-4-7-15-16(8-13)30-11-29-15/h2-8,10H,9,11H2,1H3,(H,24,27)(H,22,23,28)InChIKey
PPORIJJCLRARQT-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC21H17N5O4Sc1122514(6312)261918(20(28)23102219)2521(26)31917(27)2413471516(813)30112915h2810H911H21H3(H2427)(H222328)
MFCD11854700
N(13benzodioxol5yl)2((9(4methylphenyl)6oxo3Hpurin8yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((9(4methylphenyl)6oxo69dihydro1Hpurin8yl)sulfanyl)acetamide
N(2HBENZO(34D)13DIOXOLAN5YL)2(9(4METHYLPHENYL)6OXOHYDROPURIN8YLTHIO)ACETAMIDE
O=C(Nc1ccc2c(c1)OCO2)CSc1nc2c(n1c1ccc(cc1)C)nc(nH)c2=O
ZINC000012462127
ZINC12462127
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