Vitas-M small molecule compound
4-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-methyl-2-(propan-2-yl)pyrimidine
Catalog ID
STK361625
SMILES Cc1cc(SCc2cc3OCOc3cc2Cl)nc(n1)C(C)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 C16H17ClN2O2S MW 336.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN2O2S/c1-9(2)16-18-10(3)4-15(19-16)22-7-11-5-13-14(6-12(11)17)21-8-20-13/h4-6,9H,7-8H2,1-3H3InChIKey
KYJGAAQRUHIXRE-UHFFFAOYSA-NSynonyms
4(((6chloro13benzodioxol5yl)methyl)sulfanyl)6methyl2(propan2yl)pyrimidine
4((6chloro13benzodioxol5yl)methylsulfanyl)6methyl2propan2ylpyrimidine
6((6CHLORO(2HBENZO(D)13DIOXOLAN5YL))METHYLTHIO)4METHYL2(METHYLETHYL)PYRIMIDINE
CC1=CC(=NC(=N1)C(C)C)SCC2=CC3=C(C=C2Cl)OCO3
InChI=1SC16H17ClN2O2Sc19(2)161810(3)415(1916)2271151314(612(11)17)2182013h469H78H213H3
MFCD11852745
ZINC000020120548
ZINC20120548
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