Vitas-M small molecule compound

1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea

Catalog ID
STK560111
SMILES CNC(=S)N(CCc1cc2OCOc2c(c1/C=C/1\C(=NC(=NC1=O)O)O)OC)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 C18H20N4O6S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O6S/c1-19-18(29)22(2)5-4-9-6-12-14(28-8-27-12)13(26-3)10(9)7-11-15(23)20-17(25)21-16(11)24/h6-7H,4-5,8H2,1-3H3,(H,19,29)(H2,20,21,23,24,25)
InChIKey
UDMCBZSWIQMBOA-UHFFFAOYSA-N
Synonyms
577696-46-9
1(2(6((E)(26dihydroxy4oxopyrimidin5(4H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)13dimethylthiourea
1(2(7METHOXY6((246TRIOXO13DIAZINAN5YLIDENE)METHYL)13BENZODIOXOL5YL)ETHYL)13DIMETHYLTHIOUREA
1(2(7METHOXY6((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)13BENZODIOXOL5YL)ETHYL)13DIMETHYLTHIOUREA
1(2(7METHOXY6(246TRIOXOTETRAHYDROPYRIMIDIN5YLIDENEMETHYL)BENZO(13)DIOXOL5YL)ETHYL)13DIMETHYLTHIOUREA
577696469
CNC(=S)N(C)CCC1=CC2=C(C(=C1C=C3C(=O)NC(=O)NC3=O)OC)OCO2
CNC(=S)N(CCc1cc2OCOc2c(c1C=C1C(=NC(=NC1=O)O)O)OC)C
InChI=1SC18H20N4O6Sc11918(29)22(2)54961214(2882712)13(263)10(9)71115(23)2017(25)2116(11)24h67H458H213H3(H1929)(H22021232425)
MFCD04078856
ZINC000002381589
ZINC2381589

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Available files

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