Vitas-M small molecule compound
propan-2-yl (2Z)-2-(4-hydroxybenzylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK030639
SMILES CSc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)O)/s2)C(=O)OC(C)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 C25H24N2O4S2 MW 480.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O4S2/c1-14(2)31-24(30)21-15(3)26-25-27(22(21)17-7-11-19(32-4)12-8-17)23(29)20(33-25)13-16-5-9-18(28)10-6-16/h5-14,22,28H,1-4H3/b20-13-InChIKey
TVCMMVZODVRIGW-MOSHPQCFSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)O)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OC(C)C
CSc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)O)s2)C(=O)OC(C)C
InChI=1SC25H24N2O4S2c114(2)3124(30)2115(3)262527(22(21)1771119(324)12817)23(29)20(3325)13165918(28)10616h5142228H14H3b2013
MFCD03139391
PROPAN2YL(2Z)2((4HYDROXYPHENYL)METHYLIDENE)7METHYL5(4METHYLSULFANYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PROPAN2YL(2Z)2(4HYDROXYBENZYLIDENE)7METHYL5(4(METHYLSULFANYL)PHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK030639
ZINC000002895324
ZINC000002895326
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