Vitas-M small molecule compound
N-{4-[chloro(difluoro)methoxy]phenyl}-2-{[7-(2-ethylhexyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK678845
SMILES CCCCC(Cn1c(SCC(=O)Nc2ccc(cc2)OC(Cl)(F)F)nc2c1c(=O)n(c(=O)n2C)C)CC
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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 C24H30ClF2N5O4S MW 558.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30ClF2N5O4S/c1-5-7-8-15(6-2)13-32-19-20(30(3)23(35)31(4)21(19)34)29-22(32)37-14-18(33)28-16-9-11-17(12-10-16)36-24(25,26)27/h9-12,15H,5-8,13-14H2,1-4H3,(H,28,33)InChIKey
OZFGMJDXWHDYHY-UHFFFAOYSA-NSynonyms
CCCCC(CC)CN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)N(C(=O)N(C2=O)C)C
InChI=1SC24H30ClF2N5O4Sc157815(62)13321920(30(3)23(35)31(4)21(19)34)2922(32)371418(33)281691117(121016)3624(2526)27h91215H581314H214H3(H2833)
MFCD03133531
N(4(chloro(difluoro)methoxy)phenyl)2((7(2ethylhexyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(4(CHLORO(DIFLUORO)METHOXY)PHENYL)2(7(2ETHYLHEXYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
ZINC000098005047
ZINC000098005048
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