Vitas-M small molecule compound
6-(7,7-dimethyl-2-phenyl-4-thioxo-7,8-dihydro-4H-pyrano[4,3-d]pyrimidin-1(5H)-yl)hexanoic acid
Catalog ID
STK580744
SMILES OC(=O)CCCCCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1
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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 C21H26N2O3S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S/c1-21(2)13-17-16(14-26-21)20(27)22-19(15-9-5-3-6-10-15)23(17)12-8-4-7-11-18(24)25/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3,(H,24,25)InChIKey
ATIUXAHPGDUPTL-UHFFFAOYSA-NSynonyms
900260-68-66(77DIMETHYL2PHENYL4SULFANYLIDENE58DIHYDROPYRANO(43D)PYRIMIDIN1YL)HEXANOICACID
6(77dimethyl2phenyl4thioxo4578tetrahydro1Hpyrano(43d)pyrimidin1yl)hexanoicacid
6(77dimethyl2phenyl4thioxo78dihydro4Hpyrano(43d)pyrimidin1(5H)yl)hexanoicacid
900260686
CC1(CC2=C(CO1)C(=S)N=C(N2CCCCCC(=O)O)C3=CC=CC=C3)C
InChI=1SC21H26N2O3Sc121(2)131716(142621)20(27)2219(1595361015)23(17)128471118(24)25h356910H4781114H212H3(H2425)
MFCD06773257
ZINC000005243649
ZINC5243649
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