Vitas-M small molecule compound
propan-2-yl (2Z)-2-[3-methoxy-4-(pentyloxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798192
SMILES CCCCCOc1ccc(cc1OC)/C=c/1\sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)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 C28H32N2O5S2 MW 540.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O5S2/c1-6-7-8-13-34-20-12-11-19(15-21(20)33-5)16-23-26(31)30-25(22-10-9-14-36-22)24(27(32)35-17(2)3)18(4)29-28(30)37-23/h9-12,14-17,25H,6-8,13H2,1-5H3/b23-16-InChIKey
HHJGMVDPOFJGQU-KQWNVCNZSA-NSynonyms
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=CS4)OC
CCCCCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)C)C
InChI=1SC28H32N2O5S2c1678133420121119(1521(20)335)162326(31)3025(22109143622)24(27(32)3517(2)3)18(4)2928(30)3723h912141725H6813H215H3b2316
MFCD03461897
PROPAN2YL(2Z)2((3METHOXY4PENTOXYPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)2(3methoxy4(pentyloxy)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000097946155
ZINC000097946156
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