Vitas-M small molecule compound
propan-2-yl (2Z)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK000638
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cc(n(c1C)c1ccccc1)C)/s2)C(=O)OC(C)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 C31H31N3O4S MW 541.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4S/c1-18(2)38-30(36)27-20(4)32-31-34(28(27)22-12-14-25(37-6)15-13-22)29(35)26(39-31)17-23-16-19(3)33(21(23)5)24-10-8-7-9-11-24/h7-18,28H,1-6H3/b26-17-InChIKey
DROJTSIABUKDOY-ONUIUJJFSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)OC
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1cc(n(c1C)c1ccccc1)C)s2)C(=O)OC(C)C
InChI=1SC31H31N3O4Sc118(2)3830(36)2720(4)323134(28(27)22121425(376)151322)29(35)26(3931)17231619(3)33(21(23)5)24108791124h71828H16H3b2617
MFCD08048985
PROPAN2YL(2Z)2((25DIMETHYL1PHENYL1HPYRROL3YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PROPAN2YL(2Z)2((25DIMETHYL1PHENYLPYRROL3YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK000638
ZINC000097957730
ZINC000097957731
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