Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798967
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C)c1ccccc1
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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 C38H36N4O5S MW 660.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H36N4O5S/c1-7-19-46-31-18-15-27(20-24(31)4)34-28(22-41(40-34)29-11-9-8-10-12-29)21-32-36(43)42-35(26-13-16-30(45-6)17-14-26)33(37(44)47-23(2)3)25(5)39-38(42)48-32/h7-18,20-23,35H,1,19H2,2-6H3/b32-21-InChIKey
CKFXXPMDFGHWRP-QXPFVDMISA-NSynonyms
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)OC)C6=CC=CC=C6)OCC=C
InChI=1SC38H36N4O5Sc17194631181527(2024(31)4)3428(2241(4034)291198101229)213236(43)4235(26131630(456)171426)33(37(44)4723(2)3)25(5)3938(42)4832h718202335H119H226H3b3221
MFCD03462167
propan2yl(2Z)5(4methoxyphenyl)7methyl2((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)5(4METHOXYPHENYL)7METHYL2((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097946393
ZINC000097946394
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