Vitas-M small molecule compound

methyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(1-butyl-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
STK798145
SMILES CCCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccc(c(c2)OC)OC(=O)C)C(=O)OC)C)/C1=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 C30H29N3O7S MW 575.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O7S/c1-6-7-14-32-20-11-9-8-10-19(20)24(27(32)35)26-28(36)33-25(23(29(37)39-5)16(2)31-30(33)41-26)18-12-13-21(40-17(3)34)22(15-18)38-4/h8-13,15,25H,6-7,14H2,1-5H3/b26-24-
InChIKey
XIZHWNBLBIHWKQ-LCUIJRPUSA-N
Synonyms

CCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC(=C(C=C5)OC(=O)C)OC)C1=O
CCCCN1c2ccccc2C(=c2sc3=NC(=C(C(n3c2=O)c2ccc(c(c2)OC)OC(=O)C)C(=O)OC)C)C1=O
InChI=1SC30H29N3O7Sc16714322011981019(20)24(27(32)35)2628(36)3325(23(29(37)395)16(2)3130(33)4126)18121321(4017(3)34)22(1518)384h8131525H6714H215H3b2624
methyl(2Z)5(4(acetyloxy)3methoxyphenyl)2(1butyl2oxo12dihydro3Hindol3ylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)5(4acetyloxy3methoxyphenyl)2(1butyl2oxoindol3ylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03418049
ZINC000100838322
ZINC000100838324

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Available files

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