Vitas-M small molecule compound
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzenesulfonate
Catalog ID
STK078115
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C1C2C(=O)c3c(C2=Nc2c1c(=O)n(C)c(=O)n2C)cccc3
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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 C29H23N3O6S MW 541.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6S/c1-16-8-14-19(15-9-16)39(36,37)38-18-12-10-17(11-13-18)22-23-25(20-6-4-5-7-21(20)26(23)33)30-27-24(22)28(34)32(3)29(35)31(27)2/h4-15,22-23H,1-3H3InChIKey
SFSCIDBLQNOCGR-UHFFFAOYSA-NSynonyms
4(13dimethyl246trioxo23455a6hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3C4C(=NC5=C3C(=O)N(C(=O)N5C)C)C6=CC=CC=C6C4=O
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C1C2C(=O)c3c(C2=Nc2c1c(=O)n(C)c(=O)n2C)cccc3
InChI=1SC29H23N3O6Sc11681419(15916)39(3637)3818121017(111318)222325(20645721(20)26(23)33)302724(22)28(34)32(3)29(35)31(27)2h4152223H13H3
MFCD01068254
STK078115
ZINC000008396061
ZINC000008396064
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