Vitas-M small molecule compound
3-benzyl-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
STK557644
SMILES COc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)c(CCN(C(=S)NCc2ccccc2)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 C26H28N4O6S MW 524.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O6S/c1-28(25(37)27-14-16-8-6-5-7-9-16)11-10-17-12-20-22(36-15-35-20)21(34-4)18(17)13-19-23(31)29(2)26(33)30(3)24(19)32/h5-9,12-13H,10-11,14-15H2,1-4H3,(H,27,37)InChIKey
YNQKKDQIINVACT-UHFFFAOYSA-NSynonyms
575462-08-73BENZYL1(2(6((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)7METHOXY13BENZODIOXOL5YL)ETHYL)1METHYLTHIOUREA
3benzyl1(2(6((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)1methylthiourea
3benzyl1(2(6((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)7methoxybenzo(d)(13)dioxol5yl)ethyl)1methylthiourea
575462087
CN1C(=O)C(=CC2=C(C3=C(C=C2CCN(C)C(=S)NCC4=CC=CC=C4)OCO3)OC)C(=O)N(C1=O)C
InChI=1SC26H28N4O6Sc128(25(37)2714168657916)111017122022(36153520)21(344)18(17)131923(31)29(2)26(33)30(3)24(19)32h591213H10111415H214H3(H2737)
MFCD04026769
ZINC000002376996
ZINC02376996
ZINC2376996
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