Vitas-M small molecule compound
2-methylpropyl (2E)-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
STK798687
SMILES CCCCCOc1ccc(cc1OC)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCC(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 C29H34N2O5S2 MW 554.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O5S2/c1-6-7-8-13-35-21-12-11-20(15-22(21)34-5)16-24-27(32)31-26(23-10-9-14-37-23)25(19(4)30-29(31)38-24)28(33)36-17-18(2)3/h9-12,14-16,18,26H,6-8,13,17H2,1-5H3/b24-16+InChIKey
NCSBQJWBEPGCMM-LFVJCYFKSA-NSynonyms
2METHYLPROPYL(2E)2((3METHOXY4PENTOXYPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
2methylpropyl(2E)2(3methoxy4(pentyloxy)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC(C)C)C4=CC=CS4)OC
CCCCCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCC(C)C)C
InChI=1SC29H34N2O5S2c1678133521121120(1522(21)345)162427(32)3126(23109143723)25(19(4)3029(31)3824)28(33)361718(2)3h91214161826H681317H215H3b2416+
MFCD03417781
ZINC000100839225
ZINC000100839226
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