Vitas-M small molecule compound
2-{5-[(Z)-(1-cyclohexyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STL043366
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)N=C(N(C1=O)C1CCCCC1)S
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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 C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-35-22-12-11-16(13-17(22)15-29-24(32)19-9-5-6-10-20(19)25(29)33)14-21-23(31)28-27(36)30(26(21)34)18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,28,31,36)/b21-14-InChIKey
ATKPZFQENHQRQQ-STZFKDTASA-NSynonyms
372504-82-02((5((Z)(1CYCLOHEXYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2(5((Z)(1cyclohexyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
372504820
COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3CCCCC3)CN4C(=O)C5=CC=CC=C5C4=O
InChI=1SC27H25N3O5Sc13522121116(1317(22)152924(32)199561020(19)25(29)33)142123(31)2827(36)30(26(21)34)187324818h5691418H247815H21H3(H283136)b2114
MFCD03793942
ZINC000013765689
ZINC13765689
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