Vitas-M small molecule compound
2-methylpropyl (2E)-7-methyl-3-oxo-2-(4-propoxybenzylidene)-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799088
SMILES CCCOc1ccc(cc1)/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 C26H28N2O4S2 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4S2/c1-5-12-31-19-10-8-18(9-11-19)14-21-24(29)28-23(20-7-6-13-33-20)22(17(4)27-26(28)34-21)25(30)32-15-16(2)3/h6-11,13-14,16,23H,5,12,15H2,1-4H3/b21-14+InChIKey
QKTBIJBDOLFBDS-KGENOOAVSA-NSynonyms
2METHYLPROPYL(2E)7METHYL3OXO2((4PROPOXYPHENYL)METHYLIDENE)5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
2methylpropyl(2E)7methyl3oxo2(4propoxybenzylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC(C)C)C4=CC=CS4
CCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCC(C)C)C
InChI=1SC26H28N2O4S2c1512311910818(91119)142124(29)2823(2076133320)22(17(4)2726(28)3421)25(30)321516(2)3h61113141623H51215H214H3b2114+
MFCD03418027
ZINC000016700710
ZINC000016700713
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