Vitas-M small molecule compound
1-butan-2-yl-3-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)thiourea
Catalog ID
STL538056
SMILES CCC(NC(=S)NCCc1cc2OCOc2c(c1C=C1C(=O)N(C)C(=O)N(C1=O)C)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 C22H28N4O6S MW 476.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O6S/c1-6-12(2)24-21(33)23-8-7-13-9-16-18(32-11-31-16)17(30-5)14(13)10-15-19(27)25(3)22(29)26(4)20(15)28/h9-10,12H,6-8,11H2,1-5H3,(H2,23,24,33)InChIKey
XJQKGLQNXVOUMG-UHFFFAOYSA-NSynonyms
858768-89-51(secbutyl)3(2(6((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)7methoxybenzo(d)(13)dioxol5yl)ethyl)thiourea
1BUTAN2YL3(2(6((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)7METHOXY13BENZODIOXOL5YL)ETHYL)THIOUREA
1butan2yl3(2(6((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)thiourea
3252624
858768895
InChI=1SC22H28N4O6Sc1612(2)2421(33)23871391618(32113116)17(305)14(13)101519(27)25(3)22(29)26(4)20(15)28h91012H6811H215H3(H2232433)
MFCD04145585
ZINC000002103709
ZINC000002103712
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