Vitas-M small molecule compound
3-cyclohexyl-1-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methylthiourea
Catalog ID
STL002149
SMILES COc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)c(CCN(C(=S)NC2CCCCC2)C)cc2c1OCO2
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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 C25H32N4O6S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O6S/c1-27(24(36)26-16-8-6-5-7-9-16)11-10-15-12-19-21(35-14-34-19)20(33-4)17(15)13-18-22(30)28(2)25(32)29(3)23(18)31/h12-13,16H,5-11,14H2,1-4H3,(H,26,36)InChIKey
DIGJKPFAVITJTB-UHFFFAOYSA-NSynonyms
858763-35-63CYCLOHEXYL1(2(6((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)7METHOXY13BENZODIOXOL5YL)ETHYL)1METHYLTHIOUREA
3CYCLOHEXYL1(2(6((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)7METHOXY13BENZODIOXOL5YL)ETHYL)1METHYLTHIOUREA
3cyclohexyl1(2(6((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)7methoxybenzo(d)(13)dioxol5yl)ethyl)1methylthiourea
858763356
CN1C(=O)C(=CC2=C(C3=C(C=C2CCN(C)C(=S)NC4CCCCC4)OCO3)OC)C(=O)N(C1=O)C
InChI=1SC25H32N4O6Sc127(24(36)26168657916)111015121921(35143419)20(334)17(15)131822(30)28(2)25(32)29(3)23(18)31h121316H51114H214H3(H2636)
MFCD04142207
ZINC000002152737
ZINC02152737
ZINC2152737
Check stock
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Check stock on Vitas-MAvailable files
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