Vitas-M small molecule compound
2-amino-6-benzyl-4-(2,5-dimethoxyphenyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide
Catalog ID
STL141744
SMILES COc1ccc(c(c1)C1C(=C(N)OC2=C1S(=O)(=O)N(c1c2cccc1)Cc1ccccc1)C#N)OC
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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 C27H23N3O5S MW 501.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O5S/c1-33-18-12-13-23(34-2)20(14-18)24-21(15-28)27(29)35-25-19-10-6-7-11-22(19)30(36(31,32)26(24)25)16-17-8-4-3-5-9-17/h3-14,24H,16,29H2,1-2H3InChIKey
MBGWUPUPSUTDQR-UHFFFAOYSA-NSynonyms
2amino6benzyl4(25dimethoxyphenyl)46dihydropyrano(32c)(21)benzothiazine3carbonitrile55dioxide
2amino6benzyl4(25dimethoxyphenyl)55dioxo4Hpyrano(32c)(21)benzothiazine3carbonitrile
COC1=CC(=C(C=C1)OC)C2C(=C(OC3=C2S(=O)(=O)N(C4=CC=CC=C43)CC5=CC=CC=C5)N)C#N
InChI=1SC27H23N3O5Sc13318121323(342)20(1418)2421(1528)27(29)35251910671122(19)30(36(3132)26(24)25)16178435917h31424H1629H212H3
MFCD14914358
ZINC000020558198
ZINC000020558200
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