Vitas-M small molecule compound

ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-2-[4-(naphthalen-1-ylmethoxy)benzylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK331980
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(cc1)OCc1cccc3c1cccc3)/s2

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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 C35H30N2O5S MW 590.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N2O5S/c1-4-41-34(39)31-22(2)36-35-37(32(31)25-14-18-27(40-3)19-15-25)33(38)30(43-35)20-23-12-16-28(17-13-23)42-21-26-10-7-9-24-8-5-6-11-29(24)26/h5-20,32H,4,21H2,1-3H3/b30-20+
InChIKey
XGPPHARQRMCKKN-TWKHWXDSSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(cc1)OCc1cccc3c1cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=CC6=CC=CC=C65)S2)C
ETHYL(2E)5(4METHOXYPHENYL)7METHYL2((4(NAPHTHALEN1YLMETHOXY)PHENYL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)5(4methoxyphenyl)7methyl2(4(naphthalen1ylmethoxy)benzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(4METHOXYPHENYL)7METHYL2((4(NAPHTHYLMETHOXY)PHENYL)METHYLENE)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC35H30N2O5Sc144134(39)3122(2)363537(32(31)25141827(403)191525)33(38)30(4335)2023121628(171323)4221261079248561129(24)26h52032H421H213H3b3020+
MFCD01155321
ZINC000100185607
ZINC000100185611

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Available files

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