Vitas-M small molecule compound
(5E)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368162
SMILES COCCn1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)OC
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-13-11-15(14(2)23(13)9-10-27-3)12-18-19(25)22-21(29)24(20(18)26)16-5-7-17(28-4)8-6-16/h5-8,11-12H,9-10H2,1-4H3,(H,22,25,29)/b18-12+InChIKey
GBQSJWBYJRRYGI-LDADJPATSA-NSynonyms
(5E)5((1(2methoxyethyl)25dimethyl1Hpyrrol3yl)methylidene)1(4methoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
(5E)5((1(2methoxyethyl)25dimethylpyrrol3yl)methylidene)1(4methoxyphenyl)2sulfanylidene13diazinane46dione
CC1=CC(=C(N1CCOC)C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC
COCCn1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)OC
InChI=1SC21H23N3O4Sc1131115(14(2)23(13)910273)121819(25)2221(29)24(20(18)26)165717(284)8616h581112H910H214H3(H222529)b1812+
MFCD28952059
ZINC000096258759
ZINC96258759
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