Vitas-M small molecule compound
benzyl 6-[4-(benzyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK812406
SMILES O=C(C1=C(C)N=C2N(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCS2)OCc1ccccc1
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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 C29H26N2O4S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O4S/c1-20-26(28(33)35-19-22-10-6-3-7-11-22)27(31-25(32)16-17-36-29(31)30-20)23-12-14-24(15-13-23)34-18-21-8-4-2-5-9-21/h2-15,27H,16-19H2,1H3InChIKey
LPZSFLAEOLXZIT-UHFFFAOYSA-NSynonyms
BENZYL6(4(BENZYLOXY)PHENYL)8METHYL4OXO2H3H4H6HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
benzyl6(4(benzyloxy)phenyl)8methyl4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
BENZYL8METHYL4OXO6(4PHENYLMETHOXYPHENYL)36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
InChI=1SC29H26N2O4Sc12026(28(33)351922106371122)27(3125(32)16173629(31)3020)23121424(151323)3418218425921h21527H1619H21H3
MFCD03529988
ZINC000000702239
ZINC000000702240
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