Vitas-M small molecule compound

methyl 6-[4-(hexyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Catalog ID
STK815449
SMILES CCCCCCOc1ccc(cc1OC)C1N2C(=O)CCSC2=NC(=C1C(=O)OC)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 C23H30N2O5S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O5S/c1-5-6-7-8-12-30-17-10-9-16(14-18(17)28-3)21-20(22(27)29-4)15(2)24-23-25(21)19(26)11-13-31-23/h9-10,14,21H,5-8,11-13H2,1-4H3
InChIKey
WQSKVMNSKCOUAF-UHFFFAOYSA-N
Synonyms

CCCCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OC)OC
InChI=1SC23H30N2O5Sc1567812301710916(1418(17)283)2120(22(27)294)15(2)242325(21)19(26)11133123h9101421H581113H214H3
methyl6(4(hexyloxy)3methoxyphenyl)8methyl4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
METHYL6(4HEXOXY3METHOXYPHENYL)8METHYL4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
MFCD03530171
ZINC000016805601
ZINC000016805602

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.