Vitas-M small molecule compound

butan-2-yl 2-{[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL178859
SMILES CCC(OC(=O)c1c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)sc2c1CCCC2)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 C27H31N3O4S MW 493.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4S/c1-3-16(2)34-27(33)23-19-9-6-7-10-21(19)35-25(23)29-24(31)17-12-13-18-20(15-17)28-22-11-5-4-8-14-30(22)26(18)32/h12-13,15-16H,3-11,14H2,1-2H3,(H,29,31)
InChIKey
DBZPOZWSWPUVJQ-UHFFFAOYSA-N
Synonyms
938012-19-2
938012192
butan2yl2(((12oxo67891012hexahydroazepino(21b)quinazolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
butan2yl2((12oxo78910tetrahydro6Hazepino(21b)quinazoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4
InChI=1SC27H31N3O4Sc1316(2)3427(33)23199671021(19)3525(23)2924(31)1712131820(1517)2822115481430(22)26(18)32h12131516H31114H212H3(H2931)
MFCD08555625
ZINC000036614255
ZINC000036614256

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Available files

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