Vitas-M small molecule compound
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Catalog ID
STL178848
SMILES O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)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 C27H32N4O3S MW 492.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O3S/c1-27(2,3)16-9-11-18-20(14-16)35-25(22(18)23(28)32)30-24(33)15-8-10-17-19(13-15)29-21-7-5-4-6-12-31(21)26(17)34/h8,10,13,16H,4-7,9,11-12,14H2,1-3H3,(H2,28,32)(H,30,33)InChIKey
PNWCWKSOKVWADG-UHFFFAOYSA-NSynonyms
938021-19-3938021193
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4
InChI=1SC27H32N4O3Sc127(23)169111820(1416)3525(22(18)23(28)32)3024(33)158101719(1315)292175461231(21)26(17)34h8101316H479111214H213H3(H22832)(H3033)
MFCD08555447
N(6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)12oxo67891012hexahydroazepino(21b)quinazoline3carboxamide
N(6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)12oxo78910tetrahydro6Hazepino(21b)quinazoline3carboxamide
ZINC000036614083
ZINC000036614084
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