Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK983297
SMILES CCCCCCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2cccs2)C(=O)OCC=C)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 C30H31N3O4S2 MW 561.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O4S2/c1-4-6-7-8-11-16-32-21-14-10-9-13-20(21)24(27(32)34)26-28(35)33-25(22-15-12-18-38-22)23(29(36)37-17-5-2)19(3)31-30(33)39-26/h5,9-10,12-15,18,25H,2,4,6-8,11,16-17H2,1,3H3/b26-24-InChIKey
SHOKDGHSQDMRJF-LCUIJRPUSA-NSynonyms
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=CS5)C1=O
CCCCCCCN1c2ccccc2C(=c2sc3=NC(=C(C(n3c2=O)c2cccs2)C(=O)OCC=C)C)C1=O
InChI=1SC30H31N3O4S2c1467811163221141091320(21)24(27(32)34)2628(35)3325(221512183822)23(29(36)371752)19(3)3130(33)3926h591012151825H2468111617H213H3b2624
MFCD02978184
prop2en1yl(2Z)2(1heptyl2oxo12dihydro3Hindol3ylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2Z)2(1heptyl2oxoindol3ylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000100842572
ZINC000100842573
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