Vitas-M small molecule compound
2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{4-[chloro(difluoro)methoxy]phenyl}acetamide
Catalog ID
STK766896
SMILES CCCCn1c(SCC(=O)Nc2ccc(cc2)OC(Cl)(F)F)nc2c1c(=O)n(c(=O)n2C)C
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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 C20H22ClF2N5O4S MW 501.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClF2N5O4S/c1-4-5-10-28-15-16(26(2)19(31)27(3)17(15)30)25-18(28)33-11-14(29)24-12-6-8-13(9-7-12)32-20(21,22)23/h6-9H,4-5,10-11H2,1-3H3,(H,24,29)InChIKey
FVMZKTWAWBQYBD-UHFFFAOYSA-NSynonyms
2((7butyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(4(chloro(difluoro)methoxy)phenyl)acetamide
2(7BUTYL13DIMETHYL26DIOXOPURIN8YL)SULFANYLN(4(CHLORO(DIFLUORO)METHOXY)PHENYL)ACETAMIDE
CCCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)N(C(=O)N(C2=O)C)C
InChI=1SC20H22ClF2N5O4Sc14510281516(26(2)19(31)27(3)17(15)30)2518(28)331114(29)24126813(9712)3220(2122)23h69H451011H213H3(H2429)
MFCD03036391
ZINC000008846396
ZINC08846396
ZINC8846396
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