Vitas-M small molecule compound
2-({4-[bis(1,3-dimethyl-4,6-dioxo-2-thioxohexahydropyrimidin-5-yl)methyl]-2-chloro-6-ethoxyphenoxy}methyl)benzonitrile
Catalog ID
STK187831
SMILES CCOc1cc(cc(c1OCc1ccccc1C#N)Cl)C(C1C(=O)N(C)C(=S)N(C1=O)C)C1C(=O)N(C)C(=S)N(C1=O)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 C29H28ClN5O6S2 MW 642.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN5O6S2/c1-6-40-19-12-17(11-18(30)23(19)41-14-16-10-8-7-9-15(16)13-31)20(21-24(36)32(2)28(42)33(3)25(21)37)22-26(38)34(4)29(43)35(5)27(22)39/h7-12,20-22H,6,14H2,1-5H3InChIKey
YHSZMABMNYKKCA-UHFFFAOYSA-NSynonyms
2((4(bis(13dimethyl46dioxo2sulfanylidene13diazinan5yl)methyl)2chloro6ethoxyphenoxy)methyl)benzonitrile
2((4(BIS(13DIMETHYL46DIOXO2THIOXOHEXAHYDROPYRIMIDIN5YL)METHYL)2CHLORO6ETHOXYPHENOXY)METHYL)BENZONITRILE
CCOC1=C(C(=CC(=C1)C(C2C(=O)N(C(=S)N(C2=O)C)C)C3C(=O)N(C(=S)N(C3=O)C)C)Cl)OCC4=CC=CC=C4C#N
InChI=1SC29H28ClN5O6S2c1640191217(1118(30)23(19)4114161087915(16)1331)20(2124(36)32(2)28(42)33(3)25(21)37)2226(38)34(4)29(43)35(5)27(22)39h7122022H614H215H3
MFCD04351275
ZINC000150348709
ZINC150348709
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