Vitas-M small molecule compound
2-{[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]sulfanyl}-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL079599
SMILES C=CCn1c(SCC(=O)c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)nc2c(c1=O)c(C)c(s2)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 C27H34N2O3S2 MW 498.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O3S2/c1-10-11-29-24(32)21-15(2)16(3)34-23(21)28-25(29)33-14-20(30)17-12-18(26(4,5)6)22(31)19(13-17)27(7,8)9/h10,12-13,31H,1,11,14H2,2-9H3InChIKey
NGVUZIXQMNVGKK-UHFFFAOYSA-NSynonyms
2((2(35ditertbutyl4hydroxyphenyl)2oxoethyl)sulfanyl)56dimethyl3(prop2en1yl)thieno(23d)pyrimidin4(3H)one
2(2(35BIS(TERTBUTYL)4HYDROXYPHENYL)2OXOETHYLTHIO)56DIMETHYL3PROP2ENYL3HYDROTHIOPHENO(23D)PYRIMIDIN4ONE
2(2(35ditertbutyl4hydroxyphenyl)2oxoethyl)sulfanyl56dimethyl3prop2enylthieno(23d)pyrimidin4one
CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC=C)C
InChI=1SC27H34N2O3S2c110112924(32)2115(2)16(3)3423(21)2825(29)331420(30)171218(26(45)6)22(31)19(1317)27(78)9h10121331H11114H229H3
MFCD07801500
ZINC000027231977
ZINC27231977
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