Vitas-M small molecule compound

prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-2-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK794492
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/1\c3ccccc3N(C1=O)CCCCCCC)/s2

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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 C34H35N3O6S MW 613.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35N3O6S/c1-5-7-8-9-12-19-36-26-14-11-10-13-25(26)28(31(36)39)30-32(40)37-29(23-15-17-24(18-16-23)43-22(4)38)27(33(41)42-20-6-2)21(3)35-34(37)44-30/h6,10-11,13-18,29H,2,5,7-9,12,19-20H2,1,3-4H3/b30-28-
InChIKey
ZZJAJIKORRELKH-HYOGKJQXSA-N
Synonyms

(E)allyl5(4acetoxyphenyl)2(1heptyl2oxoindolin3ylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=C1c3ccccc3N(C1=O)CCCCCCC)s2
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=C(C=C5)OC(=O)C)C1=O
InChI=1SC34H35N3O6Sc15789121936261411101325(26)28(31(36)39)3032(40)3729(23151724(181623)4322(4)38)27(33(41)422062)21(3)3534(37)4430h61011131829H2579121920H2134H3b3028
MFCD03088916
prop2en1yl(2Z)5(4(acetyloxy)phenyl)2(1heptyl2oxo12dihydro3Hindol3ylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2Z)5(4acetyloxyphenyl)2(1heptyl2oxoindol3ylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000100842457
ZINC000100842459

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Available files

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