Vitas-M small molecule compound
methyl 4-{(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK603099
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/O
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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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-15-12-16(2)23-21(13-15)38-29(30-23)31-24(17-8-10-18(11-9-17)28(35)37-4)22(26(33)27(31)34)25(32)19-6-5-7-20(14-19)36-3/h5-14,24,32H,1-4H3/b25-22+InChIKey
YHUHSVWULODUKF-YYDJUVGSSA-NSynonyms
607688-30-2607688302
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC)C
COc1cccc(c1)C(=C1C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC29H24N2O6Sc1151216(2)2321(1315)3829(3023)3124(1781018(11917)28(35)374)22(26(33)27(31)34)25(32)1965720(1419)363h5142432H14H3b2522+
methyl4((3E)1(46dimethyl13benzothiazol2yl)3(hydroxy(3methoxyphenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(46DIMETHYLBENZOTHIAZOL2YL)4HYDROXY3((3METHOXYPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD08732602
ZINC000102695133
ZINC000102695139
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