Vitas-M small molecule compound
3-(3-{(E)-[5-(4-methoxyphenyl)-7-methyl-3-oxo-6-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK044966
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1cc(n(c1C)c1cccc(c1)C(=O)O)C)/s2)C(=O)Nc1ccccc1
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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 C35H30N4O5S MW 618.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N4O5S/c1-20-17-25(22(3)38(20)27-12-8-9-24(18-27)34(42)43)19-29-33(41)39-31(23-13-15-28(44-4)16-14-23)30(21(2)36-35(39)45-29)32(40)37-26-10-6-5-7-11-26/h5-19,31H,1-4H3,(H,37,40)(H,42,43)/b29-19+InChIKey
SXABGJNFMSIQQJ-VUTHCHCSSA-NSynonyms
3(3((E)(5(4METHOXYPHENYL)7METHYL3OXO6(PHENYLCARBAMOYL)5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
3(3((E)(5(4METHOXYPHENYL)7METHYL3OXO6(PHENYLCARBAMOYL)5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)NC5=CC=CC=C5)C6=CC=C(C=C6)OC
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1cc(n(c1C)c1cccc(c1)C(=O)O)C)s2)C(=O)Nc1ccccc1
InChI=1SC35H30N4O5Sc1201725(22(3)38(20)27128924(1827)34(42)43)192933(41)3931(23131528(444)161423)30(21(2)3635(39)4529)32(40)3726106571126h51931H14H3(H3740)(H4243)b2919+
MFCD03700011
STK044966
ZINC000008399362
ZINC000008399367
Check stock
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Check stock on Vitas-MAvailable files
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