Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK698449
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(o1)N1CCCCC1)/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 C28H31N3O5S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5S/c1-17(2)35-27(33)24-18(3)29-28-31(25(24)19-8-10-20(34-4)11-9-19)26(32)22(37-28)16-21-12-13-23(36-21)30-14-6-5-7-15-30/h8-13,16-17,25H,5-7,14-15H2,1-4H3/b22-16-InChIKey
XEPXJGDQCVLTKQ-JWGURIENSA-NSynonyms
(Z)isopropyl5(4methoxyphenyl)7methyl3oxo2((5(piperidin1yl)furan2yl)methylene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)N4CCCCC4)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)N1CCCCC1)s2)C(=O)OC(C)C
InChI=1SC28H31N3O5Sc117(2)3527(33)2418(3)292831(25(24)1981020(344)11919)26(32)22(3728)1621121323(3621)30146571530h813161725H571415H214H3b2216
ISOPROPYL5(4METHOXYPHENYL)7METHYL3OXO2((5(1PIPERIDINYL)2FURYL)METHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD02168274
propan2yl(2Z)5(4methoxyphenyl)7methyl3oxo2((5(piperidin1yl)furan2yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)5(4METHOXYPHENYL)7METHYL3OXO2((5PIPERIDIN1YLFURAN2YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000002185252
ZINC000002185254
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