Vitas-M small molecule compound
methyl 8-methyl-6-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK812410
SMILES CCCOc1ccc(cc1C)c1nn(cc1C1N2C(=O)CCSC2=NC(=C1C(=O)OC)C)c1ccccc1
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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 C29H30N4O4S MW 530.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O4S/c1-5-14-37-23-12-11-20(16-18(23)2)26-22(17-32(31-26)21-9-7-6-8-10-21)27-25(28(35)36-4)19(3)30-29-33(27)24(34)13-15-38-29/h6-12,16-17,27H,5,13-15H2,1-4H3InChIKey
LACCHHABXGRFNT-UHFFFAOYSA-NSynonyms
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C3C(=C(N=C4N3C(=O)CCS4)C)C(=O)OC)C5=CC=CC=C5)C
InChI=1SC29H30N4O4Sc15143723121120(1618(23)2)2622(1732(3126)2197681021)2725(28(35)364)19(3)302933(27)24(34)13153829h612161727H51315H214H3
METHYL8METHYL6(3(3METHYL4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)4OXO2H3H4H6HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
methyl8methyl6(3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
METHYL8METHYL6(3(3METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
MFCD03783713
ZINC000003652438
ZINC000003652441
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